5284373 -OEChem-04192408542D 196196 0 1 0 0 0 0 0999 V2000 9.1236 -5.6277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7372 -4.9728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8725 -3.3565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6361 -0.3017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2259 -4.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4683 3.2216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6840 6.7383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4532 -2.4571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1312 4.3042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1476 7.4058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2996 0.8763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4222 6.0949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3963 -3.2509 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5525 -4.0859 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.3372 -1.0110 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.7590 1.9227 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7087 -3.2509 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0706 6.2211 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5772 4.6187 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3460 1.9227 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7678 -1.0110 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.5278 4.6187 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0344 6.2211 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5075 -3.7091 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8372 -1.8770 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5570 -3.9909 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8791 -4.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3678 -4.9728 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6518 -2.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7129 -5.7285 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5480 -3.9909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1824 -2.6328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8066 0.9238 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.6473 -2.5521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6643 -0.0660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8055 0.8763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5976 -3.7091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0400 -6.6736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8690 -4.7798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2610 -5.4236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6943 1.3345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9370 -4.0922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7310 -5.5393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5525 -5.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2469 -1.4264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0627 -3.4618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2273 -1.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9227 -2.6328 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3010 5.3088 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.5233 2.8945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0525 6.4104 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.5356 0.7938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7419 2.3334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5818 2.8945 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3851 -7.4293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7489 2.0650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6828 6.0949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9575 7.4058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1079 3.8042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6368 3.2216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2326 -3.3565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1422 5.8494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3729 8.3155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2678 -1.8770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6548 3.0324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9972 3.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0525 6.4104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4407 -0.0660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6930 5.9525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0545 7.0232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2984 0.9238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9628 5.8494 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.9739 4.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7122 -8.3743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7889 7.1806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5143 -4.3160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7928 9.1300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3684 8.4105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8041 5.3088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.7882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3278 2.0873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3562 2.0650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8582 -1.4264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4210 6.7383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0573 -9.1300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0884 -3.9258 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4431 -1.7452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0664 -4.6713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2655 -4.5493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9537 -4.7700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1411 -2.8086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8685 -1.8762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5101 -5.1426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2450 1.3622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2876 -3.0572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5660 0.3044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6737 1.4821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4310 -7.1548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5818 -6.3721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7807 -5.3935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4827 -4.8680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9572 -4.1661 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7736 -5.0403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8777 -5.9109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7483 -5.8068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2454 1.6186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4154 -4.4274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2722 -4.6137 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4585 -3.7570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8483 -4.9305 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1222 -5.4220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6137 -6.1481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9325 -5.0859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5525 -5.7059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1725 -5.0859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9893 -1.9904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8108 -1.6840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5044 -0.8624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4987 -3.7193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3203 -4.0257 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6267 -3.2042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7324 -2.0972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5870 -1.2325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7223 -1.3779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3735 -3.7725 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9669 -3.2512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0062 -6.2364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6826 5.3530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5562 6.7819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0376 2.5974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2004 0.2723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0572 0.4587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8708 1.3154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3612 2.3039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7714 2.9527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1226 2.3629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7763 -7.3119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8371 1.4513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3625 2.1533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6606 2.6787 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2996 6.5822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5156 7.8408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5689 7.3030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2397 4.4100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0277 3.7028 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5925 2.6032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8650 -2.8572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6771 -3.6318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7557 8.2565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0460 2.9150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1087 5.0248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8517 0.1275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0433 0.0802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9964 5.0248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6048 6.5662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0793 5.8643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7812 5.3389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6301 6.7928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2849 7.5988 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4789 7.2537 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7461 6.4304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2839 3.7672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5108 4.6142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6639 4.8411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3210 -8.4916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3837 7.3553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6142 7.7755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1940 7.0059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9194 -4.4906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6890 -4.9109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1092 -4.1413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2091 6.8160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2979 9.4897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4332 9.6351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2878 8.7704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4273 7.7933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9855 8.4695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3094 9.0277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4686 4.1941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5940 4.2568 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5314 3.3822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7419 2.2900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1251 1.5014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9137 1.8846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4444 2.6787 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7425 2.1533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2680 1.4513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6006 -0.8624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2942 -1.6840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1157 -1.9904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9721 6.4542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7051 7.2894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8700 7.0224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5888 -8.7240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6513 -9.5986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5259 -9.5361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28 1 1 6 0 0 0 1127 1 0 0 0 0 2 31 2 0 0 0 0 3 32 2 0 0 0 0 4 35 2 0 0 0 0 5 37 2 0 0 0 0 6 50 2 0 0 0 0 7 62 2 0 0 0 0 8 64 2 0 0 0 0 9 66 2 0 0 0 0 10 67 2 0 0 0 0 11 71 2 0 0 0 0 12 79 2 0 0 0 0 13 24 1 0 0 0 0 13 32 1 0 0 0 0 13 42 1 0 0 0 0 14 26 1 0 0 0 0 14 31 1 0 0 0 0 14 44 1 0 0 0 0 15 25 1 0 0 0 0 15 35 1 0 0 0 0 15 45 1 0 0 0 0 16 33 1 0 0 0 0 16 50 1 0 0 0 0 16 56 1 0 0 0 0 17 37 1 0 0 0 0 17 48 1 0 0 0 0 17125 1 0 0 0 0 18 51 1 0 0 0 0 18 62 1 0 0 0 0 18 75 1 0 0 0 0 19 49 1 0 0 0 0 19 66 1 0 0 0 0 19151 1 0 0 0 0 20 54 1 0 0 0 0 20 71 1 0 0 0 0 20 82 1 0 0 0 0 21 64 1 0 0 0 0 21 68 1 0 0 0 0 21 83 1 0 0 0 0 22 59 1 0 0 0 0 22 79 1 0 0 0 0 22154 1 0 0 0 0 23 67 1 0 0 0 0 23 72 1 0 0 0 0 23172 1 0 0 0 0 24 27 1 1 0 0 0 24 31 1 0 0 0 0 24 86 1 0 0 0 0 25 29 1 1 0 0 0 25 32 1 0 0 0 0 25 87 1 0 0 0 0 26 28 1 0 0 0 0 26 37 1 0 0 0 0 26 88 1 6 0 0 0 27 39 1 0 0 0 0 27 40 1 0 0 0 0 27 89 1 0 0 0 0 28 30 1 0 0 0 0 28 90 1 0 0 0 0 29 34 1 0 0 0 0 29 91 1 0 0 0 0 29 92 1 0 0 0 0 30 38 1 0 0 0 0 30 43 1 1 0 0 0 30 93 1 0 0 0 0 33 35 1 0 0 0 0 33 36 1 1 0 0 0 33 94 1 0 0 0 0 34 46 1 0 0 0 0 34 47 1 0 0 0 0 34 95 1 0 0 0 0 36 41 1 0 0 0 0 36 96 1 0 0 0 0 36 97 1 0 0 0 0 38 55 1 0 0 0 0 38 98 1 0 0 0 0 38 99 1 0 0 0 0 39100 1 0 0 0 0 39101 1 0 0 0 0 39102 1 0 0 0 0 40103 1 0 0 0 0 40104 1 0 0 0 0 40105 1 0 0 0 0 41 52 1 0 0 0 0 41 53 1 0 0 0 0 41106 1 0 0 0 0 42107 1 0 0 0 0 42108 1 0 0 0 0 42109 1 0 0 0 0 43110 1 0 0 0 0 43111 1 0 0 0 0 43112 1 0 0 0 0 44113 1 0 0 0 0 44114 1 0 0 0 0 44115 1 0 0 0 0 45116 1 0 0 0 0 45117 1 0 0 0 0 45118 1 0 0 0 0 46119 1 0 0 0 0 46120 1 0 0 0 0 46121 1 0 0 0 0 47122 1 0 0 0 0 47123 1 0 0 0 0 47124 1 0 0 0 0 48 61 1 1 0 0 0 48 64 1 0 0 0 0 48126 1 0 0 0 0 49 57 1 1 0 0 0 49 62 1 0 0 0 0 49128 1 0 0 0 0 50 59 1 0 0 0 0 51 58 1 1 0 0 0 51 67 1 0 0 0 0 51129 1 0 0 0 0 52131 1 0 0 0 0 52132 1 0 0 0 0 52133 1 0 0 0 0 53134 1 0 0 0 0 53135 1 0 0 0 0 53136 1 0 0 0 0 54 60 1 1 0 0 0 54 66 1 0 0 0 0 54130 1 0 0 0 0 55 74 2 0 0 0 0 55137 1 0 0 0 0 56138 1 0 0 0 0 56139 1 0 0 0 0 56140 1 0 0 0 0 57 69 1 0 0 0 0 57 70 1 0 0 0 0 57141 1 0 0 0 0 58 63 1 0 0 0 0 58142 1 0 0 0 0 58143 1 0 0 0 0 59 73 1 6 0 0 0 59144 1 0 0 0 0 60 65 1 0 0 0 0 60145 1 0 0 0 0 60146 1 0 0 0 0 61 76 1 0 0 0 0 61147 1 0 0 0 0 61148 1 0 0 0 0 63 77 1 0 0 0 0 63 78 1 0 0 0 0 63149 1 0 0 0 0 65 80 1 0 0 0 0 65 81 1 0 0 0 0 65150 1 0 0 0 0 68 71 1 0 0 0 0 68152 1 0 0 0 0 68153 1 0 0 0 0 69155 1 0 0 0 0 69156 1 0 0 0 0 69157 1 0 0 0 0 70158 1 0 0 0 0 70159 1 0 0 0 0 70160 1 0 0 0 0 72 79 1 0 0 0 0 72 84 1 1 0 0 0 72161 1 0 0 0 0 73162 1 0 0 0 0 73163 1 0 0 0 0 73164 1 0 0 0 0 74 85 1 0 0 0 0 74165 1 0 0 0 0 75166 1 0 0 0 0 75167 1 0 0 0 0 75168 1 0 0 0 0 76169 1 0 0 0 0 76170 1 0 0 0 0 76171 1 0 0 0 0 77173 1 0 0 0 0 77174 1 0 0 0 0 77175 1 0 0 0 0 78176 1 0 0 0 0 78177 1 0 0 0 0 78178 1 0 0 0 0 80179 1 0 0 0 0 80180 1 0 0 0 0 80181 1 0 0 0 0 81182 1 0 0 0 0 81183 1 0 0 0 0 81184 1 0 0 0 0 82185 1 0 0 0 0 82186 1 0 0 0 0 82187 1 0 0 0 0 83188 1 0 0 0 0 83189 1 0 0 0 0 83190 1 0 0 0 0 84191 1 0 0 0 0 84192 1 0 0 0 0 84193 1 0 0 0 0 85194 1 0 0 0 0 85195 1 0 0 0 0 85196 1 0 0 0 0 M END > 5284373 > 1 > 2330 > 12 > 5 > 15 > AAADcfB//AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAQCAAADTzhgAYCAAPAAgCIACFSEAAAAAAgAAAICIGIAAgCUBYAgSAUQAAGtgCYAAMYCAAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methyl-hex-4-enyl]-6,9,18,24-tetraisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone > (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone > (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone > (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone > (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-1,4,7,10,12,15,19,25,28-nonamethyl-33-[(E,1R,2R)-2-methyl-1-oxidanyl-hex-4-enyl]-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone > (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methyl-hex-4-enyl]-6,9,18,24-tetraisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone > InChI=1S/C62H111N11O12/c1-25-27-28-40(15)52(75)51-56(79)65-43(26-2)58(81)67(18)33-48(74)68(19)44(29-34(3)4)55(78)66-49(38(11)12)61(84)69(20)45(30-35(5)6)54(77)63-41(16)53(76)64-42(17)57(80)70(21)46(31-36(7)8)59(82)71(22)47(32-37(9)10)60(83)72(23)50(39(13)14)62(85)73(51)24/h25,27,34-47,49-52,75H,26,28-33H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/b27-25+/t40-,41+,42-,43+,44+,45+,46+,47+,49+,50+,51+,52-/m1/s1 > PMATZTZNYRCHOR-CGLBZJNRSA-N > 7.5 > 1201.84136802 > C62H111N11O12 > 1202.6 > CCC1C(=O)N(CC(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N1)C(C(C)CC=CC)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C > CC[C@H]1C(=O)N(CC(=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](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1)[C@@H]([C@H](C)C/C=C/C)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C > 279 > 1201.84136802 > 0 > 85 > 12 > 0 > 1 > 0 > 0 > 1 > -1 > 1 5 255 > 28 1 6 24 27 5 25 29 5 26 88 6 30 43 5 33 36 5 48 61 5 49 57 5 51 58 5 54 60 5 59 73 6 72 84 5 $$$$