45479427 -OEChem-05082420532D 184187 0 1 0 0 0 0 0999 V2000 6.8777 -3.6691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1229 -2.6244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3490 -3.6486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -8.1937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7148 -1.1593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3300 -2.6291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4236 0.8606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -11.1937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -12.6937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9579 6.3903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9694 5.3904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8759 1.9006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2606 3.3705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0514 9.8800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8885 12.3899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6667 8.4102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6204 12.4099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2472 9.9401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3050 4.9405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4593 9.3500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0485 3.9606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7389 8.3301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -5.6937 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.7610 -7.2283 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -8.1937 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6096 -3.6491 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4467 -1.1392 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1555 0.8807 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -11.6937 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.7014 5.4104 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.8065 7.9002 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.9926 3.3905 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.7834 9.9001 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.3986 8.4302 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.5037 10.9200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.7707 -0.5892 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.3166 3.9405 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4709 8.3501 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.5027 -0.5692 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.6541 -2.0791 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7610 -5.1590 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8671 -6.6937 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.6671 -5.6729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6671 -6.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -5.1937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -7.1937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -5.6937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7494 -4.1591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -6.6937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0171 -4.1522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2250 -5.1868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5981 -2.6492 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1191 -3.6244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2170 -4.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -8.6937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7263 -2.1592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -9.6937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4582 -2.1392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -10.1937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3069 -0.6293 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2690 -11.1937 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.1786 -1.1192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2953 0.3707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0388 -0.6092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6898 6.4103 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.5500 6.9203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -11.6937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1439 1.8806 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.8527 3.9005 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.4217 6.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9347 8.3902 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.9106 -1.0992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2819 6.9403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7245 3.4105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8180 6.9003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0745 7.8802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8412 4.9004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0041 2.3906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7718 10.9000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 16.2704 7.9403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5847 3.9205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2722 2.3705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9232 9.3901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2028 8.3701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5153 9.9201 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.9000 11.3900 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.6320 11.4100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4564 3.4306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6551 9.4101 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.3870 9.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3426 7.8602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0399 10.8800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6435 10.4101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6425 -1.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1884 3.4506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6107 7.8401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2199 -4.8563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8623 -7.3136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2779 -5.7789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8761 -5.0892 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8761 -7.2982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2779 -6.6084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7538 -7.8483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -7.0037 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5576 -3.8484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -8.5037 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1501 -3.9529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6917 -5.5030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1386 -2.9529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1145 -2.0586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5210 -2.7442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3471 -10.2763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7456 -9.5860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0569 -9.6111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6584 -10.3013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5872 -2.3124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9062 -0.8355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8133 -3.9606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7664 -0.3255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -10.8837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7856 -1.5987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5826 -1.5895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1743 -0.8555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4318 -0.1297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6348 -0.1389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1565 6.0941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9430 7.3998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1460 7.3906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6960 0.5769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -11.3837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -12.3137 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6844 1.5768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3123 4.2042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0287 5.9508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8257 5.9600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9419 7.7702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5175 -1.5787 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3145 -1.5695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5007 6.3602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8912 7.0550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2418 5.1066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3315 2.9310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1285 2.9402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6815 7.4007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4785 7.4099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3470 7.5964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4521 3.6943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2385 10.5838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8821 7.8397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4757 8.5253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9777 4.4000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1807 4.3908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5958 8.8497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7988 8.8404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6604 2.4711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0669 1.7855 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0486 10.2363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7905 9.2801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4334 11.7062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8653 8.1140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0634 2.9510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8604 2.9602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0370 11.2362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0351 9.4030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9496 7.3806 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7466 7.3898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -11.5037 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7237 11.4133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5065 10.5638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3560 10.3467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2635 10.4172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6364 11.0300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0236 10.4029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7201 3.6742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3480 12.6937 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2072 8.1064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1955 2.8306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6178 7.2202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8384 5.2567 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9188 9.6538 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0432 -0.8729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4955 0.0508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1945 -2.3829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1207 -2.3953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 48 2 0 0 0 0 2 53 1 0 0 0 0 2116 1 0 0 0 0 3 54 1 0 0 0 0 3118 1 0 0 0 0 4 55 2 0 0 0 0 5 56 1 0 0 0 0 5123 1 0 0 0 0 6 58 2 0 0 0 0 7 63 2 0 0 0 0 8 67 1 0 0 0 0 8167 1 0 0 0 0 9 67 2 0 0 0 0 10 75 2 0 0 0 0 11 77 2 0 0 0 0 12 78 2 0 0 0 0 13 82 1 0 0 0 0 13174 1 0 0 0 0 14 83 2 0 0 0 0 15 86 1 0 0 0 0 15175 1 0 0 0 0 16 89 1 0 0 0 0 16176 1 0 0 0 0 17 87 2 0 0 0 0 18 90 2 0 0 0 0 19 37 1 0 0 0 0 19179 1 0 0 0 0 20 38 1 0 0 0 0 20180 1 0 0 0 0 21 95 2 0 0 0 0 22 96 2 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 23 45 1 0 0 0 0 24 42 1 0 0 0 0 24 44 1 0 0 0 0 24103 1 0 0 0 0 25 46 1 0 0 0 0 25 55 1 0 0 0 0 25106 1 0 0 0 0 26 48 1 0 0 0 0 26 52 1 0 0 0 0 26107 1 0 0 0 0 27 58 1 0 0 0 0 27 60 1 0 0 0 0 27117 1 0 0 0 0 28 63 1 0 0 0 0 28 68 1 0 0 0 0 28129 1 0 0 0 0 29 61 1 0 0 0 0 29130 1 0 0 0 0 29131 1 0 0 0 0 30 65 1 0 0 0 0 30 77 1 0 0 0 0 30141 1 0 0 0 0 31 71 1 0 0 0 0 31 75 1 0 0 0 0 31146 1 0 0 0 0 32 69 1 0 0 0 0 32 78 1 0 0 0 0 32147 1 0 0 0 0 33 79 1 0 0 0 0 33 83 1 0 0 0 0 33158 1 0 0 0 0 34 80 1 0 0 0 0 34 90 1 0 0 0 0 34160 1 0 0 0 0 35 85 1 0 0 0 0 35 87 1 0 0 0 0 35163 1 0 0 0 0 36 72 1 0 0 0 0 36 94 2 0 0 0 0 37 88 1 0 0 0 0 37 95 1 0 0 0 0 38 91 1 0 0 0 0 38 96 1 0 0 0 0 39 94 1 0 0 0 0 39181 1 0 0 0 0 39182 1 0 0 0 0 40 94 1 0 0 0 0 40183 1 0 0 0 0 40184 1 0 0 0 0 41 43 1 0 0 0 0 41 48 1 6 0 0 0 41 97 1 0 0 0 0 42 46 1 0 0 0 0 42 98 1 0 0 0 0 43 44 1 0 0 0 0 43 99 1 0 0 0 0 43100 1 0 0 0 0 44101 1 0 0 0 0 44102 1 0 0 0 0 45 47 1 0 0 0 0 45 50 2 0 0 0 0 46 49 2 0 0 0 0 47 49 1 0 0 0 0 47 51 2 0 0 0 0 49104 1 0 0 0 0 50 53 1 0 0 0 0 50105 1 0 0 0 0 51 54 1 0 0 0 0 51108 1 0 0 0 0 52 56 1 0 0 0 0 52 58 1 0 0 0 0 52109 1 0 0 0 0 53 54 2 0 0 0 0 55 57 1 0 0 0 0 56110 1 0 0 0 0 56111 1 0 0 0 0 57 59 1 0 0 0 0 57112 1 0 0 0 0 57113 1 0 0 0 0 59 61 1 0 0 0 0 59114 1 0 0 0 0 59115 1 0 0 0 0 60 62 1 0 0 0 0 60 63 1 0 0 0 0 60119 1 0 0 0 0 61 67 1 0 0 0 0 61120 1 0 0 0 0 62 64 1 0 0 0 0 62121 1 0 0 0 0 62122 1 0 0 0 0 64 72 1 0 0 0 0 64124 1 0 0 0 0 64125 1 0 0 0 0 65 66 1 0 0 0 0 65 75 1 0 0 0 0 65126 1 0 0 0 0 66 70 1 0 0 0 0 66127 1 0 0 0 0 66128 1 0 0 0 0 68 78 1 0 0 0 0 68 82 1 0 0 0 0 68132 1 0 0 0 0 69 74 1 0 0 0 0 69 77 1 0 0 0 0 69133 1 0 0 0 0 70 73 1 0 0 0 0 70134 1 0 0 0 0 70135 1 0 0 0 0 71 76 1 0 0 0 0 71 83 1 0 0 0 0 71136 1 0 0 0 0 72137 1 0 0 0 0 72138 1 0 0 0 0 73 80 1 0 0 0 0 73139 1 0 0 0 0 73140 1 0 0 0 0 74 81 1 0 0 0 0 74142 1 0 0 0 0 74143 1 0 0 0 0 76 84 1 0 0 0 0 76144 1 0 0 0 0 76145 1 0 0 0 0 79 86 1 0 0 0 0 79 87 1 0 0 0 0 79148 1 0 0 0 0 80149 1 0 0 0 0 80150 1 0 0 0 0 81 88 1 0 0 0 0 81151 1 0 0 0 0 81152 1 0 0 0 0 82155 1 0 0 0 0 82156 1 0 0 0 0 84 91 1 0 0 0 0 84153 1 0 0 0 0 84154 1 0 0 0 0 85 89 1 0 0 0 0 85 90 1 0 0 0 0 85157 1 0 0 0 0 86 92 1 0 0 0 0 86159 1 0 0 0 0 88161 1 0 0 0 0 88162 1 0 0 0 0 89 93 1 0 0 0 0 89164 1 0 0 0 0 91165 1 0 0 0 0 91166 1 0 0 0 0 92168 1 0 0 0 0 92169 1 0 0 0 0 92170 1 0 0 0 0 93171 1 0 0 0 0 93172 1 0 0 0 0 93173 1 0 0 0 0 95177 1 0 0 0 0 96178 1 0 0 0 0 M END > 45479427 > 1 > 2770 > 26 > 23 > 31 > AAADcfB//gAAAAAAAAAAAAAAAAAAAAAAAAA8QIAAAAAAAACBAAAAHgAUCAAADDzhmAYzzoPQAgCoAiXS/ACCAAEhIgAgiIGO7IiLdjbC0bOUcAlu9hvZ2Ce83xMOIEABAgACQABAgAIEAASAAAAAAAAAAA== > 2-amino-5-[[(1S)-1-[[2-[[1-[[2-[[4-[formyl(hydroxy)amino]-1-[[9-[3-[formyl(hydroxy)amino]propyl]-3,6-bis(1-hydroxyethyl)-2,5,8,11-tetraoxo-1,4,7,10-tetrazacyclohexadec-12-yl]carbamoyl]butyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]carbamoyl]-4-guanidino-butyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]carbamoyl]-8,9-dihydroxy-2,3,4,4a-tetrahydro-1H-pyrimido[1,2-a]quinolin-5-yl]amino]-5-oxo-pentanoic acid > 2-amino-5-[[(1S)-1-[[[1-[[5-(diaminomethylideneamino)-1-[[1-[[5-[formyl(hydroxy)amino]-1-[[9-[3-[formyl(hydroxy)amino]propyl]-3,6-bis(1-hydroxyethyl)-2,5,8,11-tetraoxo-1,4,7,10-tetrazacyclohexadec-12-yl]amino]-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-oxomethyl]-8,9-dihydroxy-2,3,4,4a-tetrahydro-1H-pyrimido[1,2-a]quinolin-5-yl]amino]-5-oxopentanoic acid > 2-amino-5-[[(1S)-1-[[1-[[5-(diaminomethylideneamino)-1-[[1-[[5-[formyl(hydroxy)amino]-1-[[9-[3-[formyl(hydroxy)amino]propyl]-3,6-bis(1-hydroxyethyl)-2,5,8,11-tetraoxo-1,4,7,10-tetrazacyclohexadec-12-yl]amino]-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamoyl]-8,9-dihydroxy-2,3,4,4a-tetrahydro-1H-pyrimido[1,2-a]quinolin-5-yl]amino]-5-oxopentanoic acid > 2-amino-5-[[(1S)-1-[[1-[[5-(diaminomethylideneamino)-1-[[1-[[5-[formyl(hydroxy)amino]-1-[[9-[3-[formyl(hydroxy)amino]propyl]-3,6-bis(1-hydroxyethyl)-2,5,8,11-tetraoxo-1,4,7,10-tetrazacyclohexadec-12-yl]amino]-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamoyl]-8,9-dihydroxy-2,3,4,4a-tetrahydro-1H-pyrimido[1,2-a]quinolin-5-yl]amino]-5-oxopentanoic acid > 2-azanyl-5-[[(1S)-1-[[1-[[5-[bis(azanyl)methylideneamino]-1-[[1-[[1-[[3,6-bis(1-hydroxyethyl)-9-[3-[methanoyl(oxidanyl)amino]propyl]-2,5,8,11-tetrakis(oxidanylidene)-1,4,7,10-tetrazacyclohexadec-12-yl]amino]-5-[methanoyl(oxidanyl)amino]-1-oxidanylidene-pentan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]carbamoyl]-8,9-bis(oxidanyl)-2,3,4,4a-tetrahydro-1H-pyrimido[1,2-a]quinolin-5-yl]amino]-5-oxidanylidene-pentanoic acid > 2-amino-5-[[(1S)-1-[[2-[[1-[[2-[[4-[formyl(hydroxy)amino]-1-[[9-[3-[formyl(hydroxy)amino]propyl]-3,6-bis(1-hydroxyethyl)-2,5,8,11-tetraketo-1,4,7,10-tetrazacyclohexadec-12-yl]carbamoyl]butyl]amino]-2-keto-1-methylol-ethyl]carbamoyl]-4-guanidino-butyl]amino]-2-keto-1-methylol-ethyl]carbamoyl]-8,9-dihydroxy-2,3,4,4a-tetrahydro-1H-pyrimido[1,2-a]quinolin-5-yl]amino]-5-keto-valeric acid > InChI=1S/C56H88N18O22/c1-27(79)43-53(91)61-15-4-3-8-31(46(84)65-34(11-7-19-73(96)26-78)49(87)70-44(28(2)80)54(92)71-43)64-47(85)33(10-6-18-72(95)25-77)67-50(88)36(23-75)68-48(86)32(9-5-16-62-56(58)59)66-51(89)37(24-76)69-52(90)38-14-17-60-45-35(63-42(83)13-12-30(57)55(93)94)20-29-21-40(81)41(82)22-39(29)74(38)45/h20-22,25-28,30-34,36-38,43-45,60,75-76,79-82,95-96H,3-19,23-24,57H2,1-2H3,(H,61,91)(H,63,83)(H,64,85)(H,65,84)(H,66,89)(H,67,88)(H,68,86)(H,69,90)(H,70,87)(H,71,92)(H,93,94)(H4,58,59,62)/t27?,28?,30?,31?,32?,33?,34?,36?,37?,38-,43?,44?,45?/m0/s1 > QIRRYPHVUMPBDX-UARRTFJPSA-N > -9.7 > 1364.63205651 > C56H88N18O22 > 1365.4 > CC(C1C(=O)NC(C(=O)NCCCCC(C(=O)NC(C(=O)N1)CCCN(C=O)O)NC(=O)C(CCCN(C=O)O)NC(=O)C(CO)NC(=O)C(CCCN=C(N)N)NC(=O)C(CO)NC(=O)C2CCNC3N2C4=CC(=C(C=C4C=C3NC(=O)CCC(C(=O)O)N)O)O)C(C)O)O > CC(C1C(=O)NC(C(=O)NCCCCC(C(=O)NC(C(=O)N1)CCCN(C=O)O)NC(=O)C(CCCN(C=O)O)NC(=O)C(CO)NC(=O)C(CCCN=C(N)N)NC(=O)C(CO)NC(=O)[C@@H]2CCNC3N2C4=CC(=C(C=C4C=C3NC(=O)CCC(C(=O)O)N)O)O)C(C)O)O > 636 > 1364.63205651 > 0 > 96 > 1 > 12 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 86 15 3 89 16 3 61 29 3 65 30 3 41 48 6 42 46 3 45 47 8 45 50 8 47 51 8 50 53 8 51 54 8 52 56 3 53 54 8 60 62 3 68 82 3 69 74 3 71 76 3 79 87 3 85 90 3 $$$$