46882314 -OEChem-04262401302D 457463 0 1 0 0 0 0 0999 V2000 5.6651 1.7182 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.0970 2.6208 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.0395 -1.3328 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.9744 -1.3606 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.5902 -0.5688 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.4406 -0.0426 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.6436 1.4674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7835 0.1160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0768 1.4168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6977 -0.3117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2457 -2.5536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5398 -0.8644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4880 1.2709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8562 1.0371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7094 -0.7478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9486 -1.9136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2208 3.1959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1632 0.7271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6298 4.9989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6175 5.4431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3259 0.4856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3846 -3.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2356 -1.5850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1159 -3.0727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0634 3.3403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8180 -1.1703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6676 -2.1894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4981 0.0848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9102 -2.4039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4420 -1.2007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4002 1.5585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8909 -3.0714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5767 -0.3443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5577 -0.7801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0180 -1.5580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9970 -1.7376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1042 4.5119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4604 -2.5368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4741 -2.4165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2083 0.1166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6955 -2.5362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2994 -1.8914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9060 -0.8170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4161 -5.6424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5950 -2.9219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0462 -2.3317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6365 -2.2270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4790 5.8620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7117 2.7193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6479 -2.1537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4314 1.2194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7599 -0.1228 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7104 0.4645 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0807 -1.4818 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7028 -0.3269 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9185 0.4242 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9125 0.6742 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1124 0.3385 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6926 -0.5387 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2199 -1.2214 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5960 3.3246 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2824 0.2118 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7246 4.3115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7472 3.6157 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3708 -1.0726 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6436 3.8644 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7298 -0.7474 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4899 -0.0725 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.7382 1.8540 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4849 -0.8939 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1066 4.1430 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3651 -2.2516 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5588 -0.2730 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7367 2.2862 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8126 -0.9425 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6988 -1.4212 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5562 -0.6942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5813 -0.4837 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6164 2.6926 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5497 -0.3826 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6451 2.4324 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9369 -1.1143 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5909 5.2015 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4870 -1.4115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4036 -1.5630 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9797 0.3792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9733 1.5326 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0820 4.1761 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0962 -1.2541 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.3651 2.2282 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2828 -1.3548 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6819 3.8198 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1074 -1.2516 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5252 -2.8829 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.7109 0.4321 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.8911 -1.0936 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1626 1.2724 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5689 0.4650 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2599 1.4161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2599 1.4161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9509 0.4650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6396 0.4674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7358 -0.1893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7167 -0.2575 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7807 0.4563 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9338 1.4445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1130 -1.0407 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4688 -1.7914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5341 0.7263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9652 -2.6470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9366 -2.4604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8502 0.4428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1546 2.0712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9852 0.4005 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3547 1.3298 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6941 -0.3972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6907 -0.4679 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1412 -1.5591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3590 -0.2909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3077 3.0594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1626 -1.2630 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7276 -0.1988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7347 2.1144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0500 0.3719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3442 1.4744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5284 3.6861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1722 0.3006 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1024 -1.3002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7394 1.1242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4790 0.7698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0130 -0.8984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1042 3.0436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3098 2.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8292 1.7343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2290 0.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3322 0.1615 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6998 -0.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2739 -1.1756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7871 3.3452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6677 3.8202 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3243 -1.1259 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0687 0.8380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8771 2.8507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3130 2.1066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1195 2.7574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3781 0.1076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4198 0.0505 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7122 -0.6788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8511 1.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2490 0.6094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6341 4.2025 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2050 -1.5996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6522 3.9992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6696 4.4444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5876 2.4905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5446 3.4292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1477 0.1707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4572 -0.0097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3084 4.0746 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0140 4.9870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9769 0.7297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4133 -1.0159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9074 -1.3835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3701 3.4665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1314 5.0588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2352 -2.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4514 -0.9562 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2664 2.7364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5179 -0.1375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2493 3.7358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8389 -1.4012 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7525 -0.8144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9075 1.7273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8953 5.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5174 -0.1070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4155 -1.2217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9134 0.8689 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5409 -0.2045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7802 -0.8796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7692 -1.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5716 -0.3426 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4401 -0.0120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5136 -0.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5374 -0.7625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3872 1.7192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4905 0.0519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3646 -2.2210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8379 -1.3401 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5782 -0.5545 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5791 -0.4130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6083 1.0449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5365 -0.8065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5200 -0.8906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5698 -0.6248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8880 3.3778 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7731 -1.6944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6280 -1.4232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8497 -1.0028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0376 2.8516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5273 1.4393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2820 -0.2431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8912 -1.0602 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9338 -2.6814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0682 1.8520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1172 4.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9979 -1.6936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2238 -0.5793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5573 -1.4200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2896 -1.8590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2349 0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9491 1.3787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1595 -3.3141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8690 -3.0357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9467 1.3034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4176 -1.3977 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9864 -1.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7406 4.6753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2970 -1.7374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5640 2.8268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0397 -1.2115 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3202 -4.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0297 -4.0227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2554 -4.6554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4463 -2.3973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3703 3.2185 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3494 -1.3788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7672 4.9045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3454 -1.8992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6851 2.4901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6312 -2.1243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8606 -0.0941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2512 2.7452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2181 -1.3259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1558 -1.2923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2817 1.7457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2566 0.9646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1951 2.0327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8663 1.5450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6534 1.5450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3247 2.0327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6409 -0.0719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3845 0.7172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8901 -0.0593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4053 0.9497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7592 1.0825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2326 1.9877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5207 1.2446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9301 -0.2106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9706 -2.1605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0464 -1.3376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0231 0.3751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1538 0.7424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1494 -3.2390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3975 -2.8963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5563 -2.4816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9848 -3.0786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0907 -0.2279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8558 1.5279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5677 2.2710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6342 1.1747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7391 0.8433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1038 1.0158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0901 -0.6220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6064 3.6026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8946 2.8595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6361 -1.9689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1706 0.2349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3224 1.6513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2071 2.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2545 2.0879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9577 1.5641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4339 0.8609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2073 4.2164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9950 4.0944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0484 0.9081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3127 0.5173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4249 0.8740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0738 -0.5785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6408 -1.6076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7965 -0.7609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2446 1.4837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1812 0.6891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8785 0.6157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3249 1.3704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0796 0.9239 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4467 -1.3414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5699 -1.3321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5792 -0.4553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6028 -1.7090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5280 3.2727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3332 3.6197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6803 2.8145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9279 1.9779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2803 1.4460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4462 1.6730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3469 0.7814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2032 3.5534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1634 2.8524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5011 2.7119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1129 3.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7064 0.6642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9490 3.0181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6504 -1.6532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6412 1.0759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4024 0.3155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3665 3.2024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2288 3.3613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3877 2.4990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2637 1.4886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6950 2.1559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3623 2.7247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5269 0.6611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2586 -1.1015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3181 -0.5471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2786 1.5761 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5174 2.3365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8185 1.0555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6136 1.1109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5443 4.8159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3994 -1.0108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8186 -1.6887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9095 4.9033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3192 4.0643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8528 -1.4626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1602 2.7284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9214 1.9679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8325 4.2289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5783 -0.2754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7831 -0.3307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4181 3.4644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8224 4.4581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1355 -0.9240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5276 4.6026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6296 5.4734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5004 5.3714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5785 0.8795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2289 0.1632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3638 -1.8031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7294 -0.7896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7975 3.2286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0363 3.9890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5495 4.8448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8196 5.5947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0500 0.1935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8868 -1.3977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3108 0.1686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4593 4.3191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8326 3.5257 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0392 3.1525 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6278 -1.7176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3058 1.5775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6555 2.2938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3240 2.0570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4951 6.1778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3688 6.1044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2954 5.2306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2711 0.4620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4016 -0.7160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4738 -0.6045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0335 -1.1719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7528 0.7347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0416 -1.1667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9717 4.7481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6981 3.9572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4322 -1.3927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3414 -0.6162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0717 -2.7977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1872 -0.4157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0289 -0.2062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3512 -0.6256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4034 -3.7447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1641 -0.1385 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0602 -1.0958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2938 2.0142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6936 2.9047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1095 0.0868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6324 -0.5517 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4499 -1.2405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2727 -1.2472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1881 -0.4430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7400 -2.0398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9893 1.0099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4664 1.6484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1598 -0.8361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2654 -2.3540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4558 -0.1917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1278 -0.6202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2013 -0.4876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2101 2.8713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9974 -1.2862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2133 -1.4295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2683 3.3588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8887 -1.0853 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3930 -1.7025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9402 -1.9589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6332 -0.8033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4306 2.7253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8079 3.4274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1463 1.4743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6692 0.8358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8046 0.1525 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5887 0.2957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9462 -0.2405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3206 -1.3026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8740 1.2632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4546 1.9410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3277 0.0320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8438 -0.5754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8421 -2.1403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1085 -2.4520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1484 2.8035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4784 -1.5316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1433 1.9675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5627 1.2898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5797 -3.0945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3491 -2.6434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7330 5.8050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3894 -2.0237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9818 1.9224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5624 1.3763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9311 -1.9645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1231 -1.9433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1922 4.2505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4472 4.1291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2831 -2.2876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5374 -1.5750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8401 -4.6934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6095 -4.2423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4524 0.0529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5485 1.0810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0535 -2.2722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6750 -2.9736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9900 3.2375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2325 -2.2754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5868 -2.7427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4786 4.3182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7423 -1.7631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9348 2.4728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2920 1.6126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4453 3.3340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8648 2.6563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0511 -1.9299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2666 -1.9440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4922 -0.7698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0801 -2.4609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2516 4.0644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9959 -5.8620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6913 -1.4601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9960 -0.6417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6127 -3.5417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1091 -3.0913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3833 -2.7929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2571 0.1387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6920 1.0518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3639 -1.4199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6898 1.5986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1816 0.6527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1109 1 0 0 0 0 2139 1 0 0 0 0 3 4 1 0 0 0 0 3128 1 0 0 0 0 4163 1 0 0 0 0 5 6 1 0 0 0 0 5175 1 0 0 0 0 6182 1 0 0 0 0 7102 2 0 0 0 0 8103 2 0 0 0 0 9112 2 0 0 0 0 10116 2 0 0 0 0 11118 2 0 0 0 0 12119 2 0 0 0 0 13124 2 0 0 0 0 14135 2 0 0 0 0 15137 2 0 0 0 0 16138 2 0 0 0 0 17145 2 0 0 0 0 18146 2 0 0 0 0 19153 2 0 0 0 0 20154 2 0 0 0 0 21158 2 0 0 0 0 22166 1 0 0 0 0 22371 1 0 0 0 0 23162 2 0 0 0 0 24166 2 0 0 0 0 25168 2 0 0 0 0 26172 2 0 0 0 0 27176 1 0 0 0 0 27385 1 0 0 0 0 28178 2 0 0 0 0 29180 2 0 0 0 0 30183 2 0 0 0 0 31185 2 0 0 0 0 32187 2 0 0 0 0 33190 2 0 0 0 0 34194 2 0 0 0 0 35198 2 0 0 0 0 36206 1 0 0 0 0 36425 1 0 0 0 0 37205 2 0 0 0 0 38206 2 0 0 0 0 39208 2 0 0 0 0 40210 2 0 0 0 0 41218 1 0 0 0 0 41445 1 0 0 0 0 42216 2 0 0 0 0 43218 2 0 0 0 0 44223 1 0 0 0 0 44447 1 0 0 0 0 45224 1 0 0 0 0 45450 1 0 0 0 0 46226 2 0 0 0 0 47230 1 0 0 0 0 47452 1 0 0 0 0 48227 2 0 0 0 0 49229 2 0 0 0 0 50234 2 0 0 0 0 51235 2 0 0 0 0 52 98 1 0 0 0 0 52101 1 0 0 0 0 52103 1 0 0 0 0 53102 1 0 0 0 0 53105 1 0 0 0 0 53245 1 0 0 0 0 54107 1 0 0 0 0 54111 1 0 0 0 0 54118 1 0 0 0 0 55104 1 0 0 0 0 55116 1 0 0 0 0 55257 1 0 0 0 0 56112 1 0 0 0 0 56114 1 0 0 0 0 56262 1 0 0 0 0 57119 1 0 0 0 0 57134 1 0 0 0 0 57276 1 0 0 0 0 58124 1 0 0 0 0 58127 1 0 0 0 0 58277 1 0 0 0 0 59117 1 0 0 0 0 59137 1 0 0 0 0 59278 1 0 0 0 0 60121 1 0 0 0 0 60138 1 0 0 0 0 60289 1 0 0 0 0 61126 1 0 0 0 0 61299 1 0 0 0 0 61300 1 0 0 0 0 62135 1 0 0 0 0 62136 1 0 0 0 0 62301 1 0 0 0 0 63140 1 0 0 0 0 63154 1 0 0 0 0 63322 1 0 0 0 0 64145 1 0 0 0 0 64151 1 0 0 0 0 64323 1 0 0 0 0 65141 1 0 0 0 0 65162 1 0 0 0 0 65324 1 0 0 0 0 66153 1 0 0 0 0 66156 1 0 0 0 0 66331 1 0 0 0 0 67148 1 0 0 0 0 67172 1 0 0 0 0 67332 1 0 0 0 0 68158 1 0 0 0 0 68169 1 0 0 0 0 68344 1 0 0 0 0 69168 1 0 0 0 0 69177 1 0 0 0 0 69353 1 0 0 0 0 70167 1 0 0 0 0 70183 1 0 0 0 0 70362 1 0 0 0 0 71164 1 0 0 0 0 71363 1 0 0 0 0 71364 1 0 0 0 0 72171 1 0 0 0 0 72187 1 0 0 0 0 72367 1 0 0 0 0 73178 1 0 0 0 0 73181 1 0 0 0 0 73372 1 0 0 0 0 74173 1 0 0 0 0 74374 1 0 0 0 0 74375 1 0 0 0 0 75179 1 0 0 0 0 75198 1 0 0 0 0 75379 1 0 0 0 0 76180 1 0 0 0 0 76197 1 0 0 0 0 76381 1 0 0 0 0 77184 1 0 0 0 0 77194 1 0 0 0 0 77384 1 0 0 0 0 78189 1 0 0 0 0 78190 1 0 0 0 0 78388 1 0 0 0 0 79185 1 0 0 0 0 79195 1 0 0 0 0 79389 1 0 0 0 0 80188 1 0 0 0 0 80210 1 0 0 0 0 80403 1 0 0 0 0 81200 1 0 0 0 0 81219 1 0 0 0 0 81411 1 0 0 0 0 82202 1 0 0 0 0 82216 1 0 0 0 0 82412 1 0 0 0 0 83205 1 0 0 0 0 83217 1 0 0 0 0 83417 1 0 0 0 0 84208 1 0 0 0 0 84215 1 0 0 0 0 84418 1 0 0 0 0 85207 1 0 0 0 0 85228 1 0 0 0 0 85421 1 0 0 0 0 86211 1 0 0 0 0 86231 1 0 0 0 0 86429 1 0 0 0 0 87214 1 0 0 0 0 87229 1 0 0 0 0 87430 1 0 0 0 0 88225 1 0 0 0 0 88227 1 0 0 0 0 88436 1 0 0 0 0 89220 1 0 0 0 0 89234 1 0 0 0 0 89437 1 0 0 0 0 90219 1 0 0 0 0 90438 1 0 0 0 0 90439 1 0 0 0 0 91226 1 0 0 0 0 91233 1 0 0 0 0 91442 1 0 0 0 0 92219 2 0 0 0 0 92446 1 0 0 0 0 93228 1 0 0 0 0 93448 1 0 0 0 0 93449 1 0 0 0 0 94228 2 0 0 0 0 94451 1 0 0 0 0 95231 1 0 0 0 0 95453 1 0 0 0 0 95454 1 0 0 0 0 96231 2 0 0 0 0 96455 1 0 0 0 0 97235 1 0 0 0 0 97456 1 0 0 0 0 97457 1 0 0 0 0 98 99 1 0 0 0 0 98102 1 0 0 0 0 98236 1 6 0 0 0 99100 1 0 0 0 0 99237 1 0 0 0 0 99238 1 0 0 0 0 100101 1 0 0 0 0 100239 1 0 0 0 0 100240 1 0 0 0 0 101241 1 0 0 0 0 101242 1 0 0 0 0 103104 1 0 0 0 0 104109 1 0 0 0 0 104243 1 6 0 0 0 105106 1 1 0 0 0 105112 1 0 0 0 0 105244 1 0 0 0 0 106113 1 0 0 0 0 106246 1 0 0 0 0 106247 1 0 0 0 0 107108 1 0 0 0 0 107119 1 0 0 0 0 107248 1 6 0 0 0 108110 1 0 0 0 0 108249 1 0 0 0 0 108250 1 0 0 0 0 109251 1 0 0 0 0 109252 1 0 0 0 0 110111 1 0 0 0 0 110253 1 0 0 0 0 110254 1 0 0 0 0 111255 1 0 0 0 0 111256 1 0 0 0 0 113120 1 0 0 0 0 113258 1 0 0 0 0 113259 1 0 0 0 0 114115 1 0 0 0 0 114124 1 0 0 0 0 114260 1 6 0 0 0 115123 1 0 0 0 0 115125 1 6 0 0 0 115261 1 0 0 0 0 116117 1 0 0 0 0 117122 1 1 0 0 0 117263 1 0 0 0 0 118121 1 0 0 0 0 120126 1 0 0 0 0 120264 1 0 0 0 0 120265 1 0 0 0 0 121128 1 0 0 0 0 121266 1 6 0 0 0 122130 1 0 0 0 0 122131 1 0 0 0 0 122267 1 0 0 0 0 123132 1 0 0 0 0 123268 1 0 0 0 0 123269 1 0 0 0 0 125270 1 0 0 0 0 125271 1 0 0 0 0 125272 1 0 0 0 0 126273 1 0 0 0 0 126274 1 0 0 0 0 127129 1 1 0 0 0 127135 1 0 0 0 0 127275 1 0 0 0 0 128279 1 0 0 0 0 128280 1 0 0 0 0 129133 1 0 0 0 0 129281 1 0 0 0 0 129282 1 0 0 0 0 130283 1 0 0 0 0 130284 1 0 0 0 0 130285 1 0 0 0 0 131286 1 0 0 0 0 131287 1 0 0 0 0 131288 1 0 0 0 0 132290 1 0 0 0 0 132291 1 0 0 0 0 132292 1 0 0 0 0 133143 1 0 0 0 0 133144 1 0 0 0 0 133293 1 0 0 0 0 134145 1 0 0 0 0 134294 1 0 0 0 0 134295 1 0 0 0 0 136142 1 1 0 0 0 136146 1 0 0 0 0 136296 1 0 0 0 0 137148 1 0 0 0 0 138141 1 0 0 0 0 139140 1 0 0 0 0 139297 1 0 0 0 0 139298 1 0 0 0 0 140153 1 0 0 0 0 140302 1 1 0 0 0 141152 1 1 0 0 0 141303 1 0 0 0 0 142149 1 0 0 0 0 142304 1 0 0 0 0 142305 1 0 0 0 0 143306 1 0 0 0 0 143307 1 0 0 0 0 143308 1 0 0 0 0 144309 1 0 0 0 0 144310 1 0 0 0 0 144311 1 0 0 0 0 146147 1 0 0 0 0 147150 1 6 0 0 0 147158 1 0 0 0 0 147312 1 0 0 0 0 148313 1 0 0 0 0 148314 1 0 0 0 0 149155 1 0 0 0 0 149315 1 0 0 0 0 149316 1 0 0 0 0 150157 1 0 0 0 0 150317 1 0 0 0 0 150318 1 0 0 0 0 151154 1 0 0 0 0 151160 1 1 0 0 0 151319 1 0 0 0 0 152166 1 0 0 0 0 152320 1 0 0 0 0 152321 1 0 0 0 0 155164 1 0 0 0 0 155325 1 0 0 0 0 155326 1 0 0 0 0 156159 1 0 0 0 0 156168 1 0 0 0 0 156327 1 6 0 0 0 157161 1 0 0 0 0 157328 1 0 0 0 0 157329 1 0 0 0 0 159165 1 0 0 0 0 159170 1 6 0 0 0 159330 1 0 0 0 0 160333 1 0 0 0 0 160334 1 0 0 0 0 160335 1 0 0 0 0 161173 1 0 0 0 0 161336 1 0 0 0 0 161337 1 0 0 0 0 162167 1 0 0 0 0 163171 1 0 0 0 0 163338 1 0 0 0 0 163339 1 0 0 0 0 164340 1 0 0 0 0 164341 1 0 0 0 0 165174 1 0 0 0 0 165342 1 0 0 0 0 165343 1 0 0 0 0 167176 1 1 0 0 0 167345 1 0 0 0 0 169175 1 0 0 0 0 169178 1 0 0 0 0 169346 1 6 0 0 0 170347 1 0 0 0 0 170348 1 0 0 0 0 170349 1 0 0 0 0 171180 1 0 0 0 0 171350 1 1 0 0 0 172179 1 0 0 0 0 173351 1 0 0 0 0 173352 1 0 0 0 0 174354 1 0 0 0 0 174355 1 0 0 0 0 174356 1 0 0 0 0 175357 1 0 0 0 0 175358 1 0 0 0 0 176359 1 0 0 0 0 176360 1 0 0 0 0 177182 1 0 0 0 0 177185 1 0 0 0 0 177361 1 6 0 0 0 179365 1 0 0 0 0 179366 1 0 0 0 0 181186 1 1 0 0 0 181190 1 0 0 0 0 181368 1 0 0 0 0 182369 1 0 0 0 0 182370 1 0 0 0 0 183184 1 0 0 0 0 184192 1 1 0 0 0 184373 1 0 0 0 0 186191 1 0 0 0 0 186376 1 0 0 0 0 186377 1 0 0 0 0 187188 1 0 0 0 0 188196 1 1 0 0 0 188378 1 0 0 0 0 189193 1 1 0 0 0 189194 1 0 0 0 0 189380 1 0 0 0 0 191200 1 0 0 0 0 191382 1 0 0 0 0 191383 1 0 0 0 0 192206 1 0 0 0 0 192386 1 0 0 0 0 192387 1 0 0 0 0 193201 1 0 0 0 0 193390 1 0 0 0 0 193391 1 0 0 0 0 195199 1 1 0 0 0 195205 1 0 0 0 0 195392 1 0 0 0 0 196203 1 0 0 0 0 196393 1 0 0 0 0 196394 1 0 0 0 0 197208 1 0 0 0 0 197395 1 0 0 0 0 197396 1 0 0 0 0 198202 1 0 0 0 0 199204 1 0 0 0 0 199397 1 0 0 0 0 199398 1 0 0 0 0 200399 1 0 0 0 0 200400 1 0 0 0 0 201207 1 0 0 0 0 201401 1 0 0 0 0 201402 1 0 0 0 0 202209 1 1 0 0 0 202404 1 0 0 0 0 203212 2 0 0 0 0 203213 1 0 0 0 0 204211 1 0 0 0 0 204405 1 0 0 0 0 204406 1 0 0 0 0 207407 1 0 0 0 0 207408 1 0 0 0 0 209218 1 0 0 0 0 209409 1 0 0 0 0 209410 1 0 0 0 0 210214 1 0 0 0 0 211413 1 0 0 0 0 211414 1 0 0 0 0 212221 1 0 0 0 0 212415 1 0 0 0 0 213222 2 0 0 0 0 213416 1 0 0 0 0 214419 1 0 0 0 0 214420 1 0 0 0 0 215224 1 1 0 0 0 215226 1 0 0 0 0 215422 1 0 0 0 0 216220 1 0 0 0 0 217227 1 0 0 0 0 217423 1 0 0 0 0 217424 1 0 0 0 0 220230 1 1 0 0 0 220426 1 0 0 0 0 221223 2 0 0 0 0 221427 1 0 0 0 0 222223 1 0 0 0 0 222428 1 0 0 0 0 224431 1 0 0 0 0 224432 1 0 0 0 0 225229 1 0 0 0 0 225232 1 1 0 0 0 225433 1 0 0 0 0 230434 1 0 0 0 0 230435 1 0 0 0 0 232235 1 0 0 0 0 232440 1 0 0 0 0 232441 1 0 0 0 0 233234 1 0 0 0 0 233443 1 0 0 0 0 233444 1 0 0 0 0 M END > 46882314 > 1 > 8030 > 57 > 51 > 47 > AAADcfB//gBwAAAAAAAAAAAAAAAAAWLAAAAwAAAAAAAAAAABAAAAHgQQCAAADSzl2AazDoPAAgCoAqHSOAACAACgIAAJiIGOCIiKdj6K2TOUcAAm9hOYmAe/yeCOIAAAAAAAAABAAAAAAAAAAAAAAAAAAA== > 2-[(1R,5aS,7S,10S,13S,16S,19S,21S,24R,27S,30S,33S,36S,39S,42R,48S,54S,57R,60S,63R,66S,72S,78S,81R,87S,93S,96S)-10,19,21-tris(4-aminobutyl)-72-(2-amino-2-oxo-ethyl)-39,96-bis(carboxymethyl)-27,30,66-tris(3-guanidinopropyl)-36,87,93-tris(hydroxymethyl)-78-[(4-hydroxyphenyl)methyl]-16-isobutyl-5a-isopropyl-54-methyl-13,60-bis[(1S)-1-methylpropyl]-a,2,3a,6a,8,11,14,17,20,22,25,28,31,34,37,40,43,49,52,55,58,61,64,67,70,73,76,79,82,85,88,91,94,97-tetratriacontaoxo-9a,10a,13a,14a,17a,18a-hexathia-1a,3,4a,7a,9,12,15,18,23,26,29,32,35,38,41,44,50,53,56,59,62,65,68,71,74,77,80,83,86,89,92,95,98-tritriacontazahexacyclo[55.50.4.424,63.442,81.03,7.044,48]nonadecahectan-33-yl]acetic acid > 2-[(1R,5aS,7S,10S,13S,16S,19S,21S,24R,27S,30S,33S,36S,39S,42R,48S,54S,57R,60S,63R,66S,72S,78S,81R,87S,93S,96S)-10,19,21-tris(4-aminobutyl)-72-(2-amino-2-oxoethyl)-13,60-bis[(2S)-butan-2-yl]-27,30,66-tris(3-carbamimidamidopropyl)-39,96-bis(carboxymethyl)-36,87,93-tris(hydroxymethyl)-78-[(4-hydroxyphenyl)methyl]-54-methyl-16-(2-methylpropyl)-a,2,3a,6a,8,11,14,17,20,22,25,28,31,34,37,40,43,49,52,55,58,61,64,67,70,73,76,79,82,85,88,91,94,97-tetratriacontaoxo-5a-propan-2-yl-9a,10a,13a,14a,17a,18a-hexathia-1a,3,4a,7a,9,12,15,18,23,26,29,32,35,38,41,44,50,53,56,59,62,65,68,71,74,77,80,83,86,89,92,95,98-tritriacontazahexacyclo[55.50.4.424,63.442,81.03,7.044,48]nonadecahectan-33-yl]acetic acid > 2-[(1R,5aS,7S,10S,13S,16S,19S,21S,24R,27S,30S,33S,36S,39S,42R,48S,54S,57R,60S,63R,66S,72S,78S,81R,87S,93S,96S)-10,19,21-tris(4-aminobutyl)-72-(2-amino-2-oxoethyl)-13,60-bis[(2S)-butan-2-yl]-27,30,66-tris(3-carbamimidamidopropyl)-39,96-bis(carboxymethyl)-36,87,93-tris(hydroxymethyl)-78-[(4-hydroxyphenyl)methyl]-54-methyl-16-(2-methylpropyl)-a,2,3a,6a,8,11,14,17,20,22,25,28,31,34,37,40,43,49,52,55,58,61,64,67,70,73,76,79,82,85,88,91,94,97-tetratriacontaoxo-5a-propan-2-yl-9a,10a,13a,14a,17a,18a-hexathia-1a,3,4a,7a,9,12,15,18,23,26,29,32,35,38,41,44,50,53,56,59,62,65,68,71,74,77,80,83,86,89,92,95,98-tritriacontazahexacyclo[55.50.4.424,63.442,81.03,7.044,48]nonadecahectan-33-yl]acetic acid > 2-[(1R,5aS,7S,10S,13S,16S,19S,21S,24R,27S,30S,33S,36S,39S,42R,48S,54S,57R,60S,63R,66S,72S,78S,81R,87S,93S,96S)-10,19,21-tris(4-aminobutyl)-72-(2-amino-2-oxoethyl)-13,60-bis[(2S)-butan-2-yl]-27,30,66-tris(3-carbamimidamidopropyl)-39,96-bis(carboxymethyl)-36,87,93-tris(hydroxymethyl)-78-[(4-hydroxyphenyl)methyl]-54-methyl-16-(2-methylpropyl)-a,2,3a,6a,8,11,14,17,20,22,25,28,31,34,37,40,43,49,52,55,58,61,64,67,70,73,76,79,82,85,88,91,94,97-tetratriacontaoxo-5a-propan-2-yl-9a,10a,13a,14a,17a,18a-hexathia-1a,3,4a,7a,9,12,15,18,23,26,29,32,35,38,41,44,50,53,56,59,62,65,68,71,74,77,80,83,86,89,92,95,98-tritriacontazahexacyclo[55.50.4.424,63.442,81.03,7.044,48]nonadecahectan-33-yl]acetic acid > 2-[(1R,5aS,7S,10S,13S,16S,19S,21S,24R,27S,30S,33S,36S,39S,42R,48S,54S,57R,60S,63R,66S,72S,78S,81R,87S,93S,96S)-10,19,21-tris(4-azanylbutyl)-72-(2-azanyl-2-oxidanylidene-ethyl)-13,60-bis[(2S)-butan-2-yl]-27,30,66-tris(3-carbamimidamidopropyl)-36,87,93-tris(hydroxymethyl)-39,96-bis(2-hydroxy-2-oxoethyl)-78-[(4-hydroxyphenyl)methyl]-54-methyl-16-(2-methylpropyl)-a,2,3a,6a,8,11,14,17,20,22,25,28,31,34,37,40,43,49,52,55,58,61,64,67,70,73,76,79,82,85,88,91,94,97-tetratriacontakis(oxidanylidene)-5a-propan-2-yl-9a,10a,13a,14a,17a,18a-hexathia-1a,3,4a,7a,9,12,15,18,23,26,29,32,35,38,41,44,50,53,56,59,62,65,68,71,74,77,80,83,86,89,92,95,98-tritriacontazahexacyclo[55.50.4.424,63.442,81.03,7.044,48]nonadecahectan-33-yl]ethanoic acid > 2-[(1R,5aS,7S,10S,13S,16S,19S,21S,24R,27S,30S,33S,36S,39S,42R,48S,54S,57R,60S,63R,66S,72S,78S,81R,87S,93S,96S)-10,19,21-tris(4-aminobutyl)-72-(2-amino-2-keto-ethyl)-39,96-bis(carboxymethyl)-27,30,66-tris(3-guanidinopropyl)-78-(4-hydroxybenzyl)-16-isobutyl-5a-isopropyl-a,2,3a,6a,8,11,14,17,20,22,25,28,31,34,37,40,43,49,52,55,58,61,64,67,70,73,76,79,82,85,88,91,94,97-tetratriacontaketo-54-methyl-36,87,93-trimethylol-13,60-bis[(1S)-1-methylpropyl]-9a,10a,13a,14a,17a,18a-hexathia-1a,3,4a,7a,9,12,15,18,23,26,29,32,35,38,41,44,50,53,56,59,62,65,68,71,74,77,80,83,86,89,92,95,98-tritriacontazahexacyclo[55.50.4.424,63.442,81.03,7.044,48]nonadecahectan-33-yl]acetic acid > InChI=1S/C138H222N46O45S6/c1-10-67(7)107-132(226)172-78(43-65(3)4)120(214)164-73(24-13-16-36-140)109(203)72(23-12-15-35-139)111(205)175-88-60-231-232-61-89-127(221)165-74(26-18-38-149-136(143)144)112(206)154-52-99(193)161-80(45-95(142)189)113(207)155-53-98(192)160-79(44-70-31-33-71(188)34-32-70)121(215)176-87-59-230-234-63-91(178-123(217)83(48-105(201)202)171-125(219)86(58-187)173-122(216)82(47-104(199)200)170-118(212)77(28-20-40-151-138(147)148)166-117(211)76(167-126(88)220)27-19-39-150-137(145)146)134(228)183-41-21-29-93(183)129(223)158-51-97(191)159-69(9)110(204)174-90(128(222)182-108(68(8)11-2)133(227)177-89)62-233-235-64-92(135(229)184-42-22-30-94(184)130(224)168-75(119(213)181-107)25-14-17-37-141)179-131(225)106(66(5)6)180-102(196)50-152-96(190)49-153-114(208)81(46-103(197)198)169-124(218)85(57-186)163-101(195)54-156-115(209)84(56-185)162-100(194)55-157-116(87)210/h31-34,65-69,72-94,106-108,185-188H,10-30,35-64,139-141H2,1-9H3,(H2,142,189)(H,152,190)(H,153,208)(H,154,206)(H,155,207)(H,156,209)(H,157,210)(H,158,223)(H,159,191)(H,160,192)(H,161,193)(H,162,194)(H,163,195)(H,164,214)(H,165,221)(H,166,211)(H,167,220)(H,168,224)(H,169,218)(H,170,212)(H,171,219)(H,172,226)(H,173,216)(H,174,204)(H,175,205)(H,176,215)(H,177,227)(H,178,217)(H,179,225)(H,180,196)(H,181,213)(H,182,222)(H,197,198)(H,199,200)(H,201,202)(H4,143,144,149)(H4,145,146,150)(H4,147,148,151)/t67-,68-,69-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,106-,107-,108-/m0/s1 > ZLJSWELNXRPTLH-YKZDDKAVSA-N > -20.5 > 3436.4855010 > C138H222N46O45S6 > 3437.9 > CCC(C)C1C(=O)NC2CSSCC3C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC4CSSCC(C(=O)NCC(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NCC(=O)NCC(=O)NC(C(=O)NC(CSSCC(C(=O)N1)NC(=O)C(NC(=O)CNC(=O)C5CCCN5C4=O)C)C(=O)N6CCCC6C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)C(C(=O)N3)CCCCN)CCCCN)CC(C)C)C(C)CC)CCCCN)C(C)C)CC(=O)O)CO)CO)NC(=O)C(NC(=O)CNC(=O)C(NC(=O)CNC(=O)C(NC2=O)CCCNC(=N)N)CC(=O)N)CC7=CC=C(C=C7)O)CC(=O)O)CO)CC(=O)O)CCCNC(=N)N)CCCNC(=N)N > CC[C@H](C)[C@H]1C(=O)N[C@H]2CSSC[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H]4CSSC[C@@H](C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]5CCCN5C4=O)C)C(=O)N6CCC[C@H]6C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)[C@@H](C(=O)N3)CCCCN)CCCCN)CC(C)C)[C@@H](C)CC)CCCCN)C(C)C)CC(=O)O)CO)CO)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC2=O)CCCNC(=N)N)CC(=O)N)CC7=CC=C(C=C7)O)CC(=O)O)CO)CC(=O)O)CCCNC(=N)N)CCCNC(=N)N > 1610 > 3435.4821462 > 0 > 235 > 29 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 104 243 6 105 106 5 107 248 6 114 260 6 115 125 6 117 122 5 121 266 6 127 129 5 136 142 5 140 302 5 141 152 5 147 150 6 151 160 5 156 327 6 159 170 6 167 176 5 169 346 6 171 350 5 177 361 6 181 186 5 184 192 5 188 196 5 189 193 5 195 199 5 202 209 5 203 212 8 203 213 8 212 221 8 213 222 8 215 224 5 220 230 5 221 223 8 222 223 8 225 232 5 98 236 6 $$$$