16129677 -OEChem-04262412172D 269272 0 1 0 0 0 0 0999 V2000 10.2266 -3.2044 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.5090 -2.5080 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.5266 5.2348 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.0266 4.3688 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 21.2801 -0.1949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2655 -3.0568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5417 3.2953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0682 -4.4804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5641 5.0081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.6906 0.4205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.6647 2.1524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9761 6.4255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5933 -4.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0266 8.3097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2317 -2.2412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5283 8.4144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8738 -0.0471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5459 1.3365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1472 3.2609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0057 -2.1880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4299 0.6308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1855 8.1133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0887 6.6089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4294 -4.6216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2156 -6.2562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4621 -2.3277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7508 -6.9137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0244 -9.8567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3428 -1.5826 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.5903 1.1103 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.8906 -3.2545 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.2801 4.0619 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.9281 -3.4320 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.4999 6.4366 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2938 -2.0648 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.0700 -7.4978 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.7537 7.5621 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7337 0.4599 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.8190 7.1197 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6056 -0.0212 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4137 2.1833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1146 4.8771 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0526 -2.6574 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0884 6.6389 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7283 -4.9478 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4757 -0.8147 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6140 2.8522 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2900 0.9622 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1130 3.1271 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3487 -7.5662 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8942 -3.9640 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5763 0.7104 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.8230 2.8519 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2151 2.3204 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9175 -8.3192 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1829 -8.5500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.2063 4.4704 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7254 -9.5304 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0545 -9.9315 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.9184 -0.7649 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 20.8675 -1.0604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8815 -2.0544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9411 -2.3765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3387 0.1425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6304 -2.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8042 -2.8477 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 20.6651 2.1075 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 18.2911 -3.7211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6649 2.1225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5605 3.1020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9191 -3.4916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9209 -3.5514 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 22.1778 1.2640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8910 -4.5509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8328 4.9563 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.0104 -5.0248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6835 5.4820 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 23.1777 1.2790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9805 -6.0243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2330 5.7564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9725 -3.1372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0849 -2.6766 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 20.6536 6.4815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0999 -6.4982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6572 6.9749 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.2265 -3.1895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7319 7.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1178 7.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7542 7.5920 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.6247 -1.3217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6944 8.5902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0990 -0.4710 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.5290 9.1411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7654 7.4430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2046 -0.9183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4692 10.1393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4233 8.6938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6206 -1.0211 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.9456 6.6328 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.4940 -1.5081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7173 1.4657 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.6275 4.0186 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.7878 1.8345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6274 4.0336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7322 0.4658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5404 1.4410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1732 5.9976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0036 1.2139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1405 3.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8642 -1.6752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3701 -0.3674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0722 7.1197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5255 2.4409 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.2963 -3.3116 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.6014 5.7655 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.4029 3.4023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6016 5.7505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3515 -2.9836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0741 1.5828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6893 3.4274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3374 3.7584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4847 -4.2937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9167 -5.9299 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.1144 4.8920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5952 -3.6378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8614 -6.2578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1603 -6.5841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0498 -7.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5924 -8.2204 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.6505 -3.3098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3604 1.3310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6476 -7.8924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0474 3.4832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9945 -7.5679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7807 -9.2025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8913 -8.5466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9760 -9.5430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4003 -9.1751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3815 -0.4549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.4850 -1.1168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.9886 -0.4523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.0197 -2.6588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.4971 -1.9805 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.4095 -2.6955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.2025 -2.9386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6082 -3.4359 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.2020 1.0087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.0902 1.6562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7496 -4.0231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5931 -4.2626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8327 -3.4192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0910 -3.8412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.2443 2.3432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.5482 2.7314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4510 -3.9558 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.5985 1.0433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.2946 0.6551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0855 -5.1396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5045 -4.4616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.8572 4.2884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.4292 4.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8159 -4.4361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3969 -5.1141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7992 -4.0384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.7020 4.8622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1750 -6.6130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5940 -5.9350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4187 -2.1541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.2733 6.5001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6350 7.1012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.0338 6.4630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9054 -5.9095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4864 -6.5875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8792 6.9270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2561 7.1354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.0915 5.3340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0231 -3.7752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0570 -2.5930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.3106 0.4298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8721 -2.5193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5240 -7.7915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5974 -7.8237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6681 7.5769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4034 8.4128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5675 8.1481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1860 8.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4479 9.1591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0913 8.4462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8278 8.1776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5202 -0.2488 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5660 8.5222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7784 -1.3686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5740 -1.4162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0880 10.1764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4321 10.7582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8503 10.1022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1460 8.1393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9779 8.4164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7007 9.2483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5866 -0.1424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5669 7.6861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0548 -0.7675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2949 6.1205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1061 -1.6066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6973 -0.9224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5872 2.0719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9294 4.5602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1130 2.3623 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3244 2.2465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1402 4.3820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4407 4.6248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1379 0.2968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0149 2.0318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0352 6.6021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6083 5.5560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6783 0.6861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4669 0.8020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1795 -2.7026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0072 2.1006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1430 5.4635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9340 2.9968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7209 2.8701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4946 4.8678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6384 -2.8607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6020 7.0232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6535 -2.4421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8707 -2.5922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3994 2.1106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6108 1.9947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2608 3.8755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2893 3.2714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8063 4.1640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0194 4.2906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3856 -5.5243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5729 5.1940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8125 4.3505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6560 4.5901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2933 -4.1793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0761 -4.0291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1426 -4.7445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1342 -1.3322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8568 -0.7776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4814 -6.2486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9599 -5.6457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0554 2.5833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8690 3.4173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3801 0.3488 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0145 2.5150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4298 -7.2492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9513 -7.8521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4756 -7.6115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9344 -7.7695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9496 -7.3509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1668 -7.5011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3084 -3.7607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0109 -4.5729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.9391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6664 0.0970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4024 3.0726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7245 2.2398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6388 2.5491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6766 -7.7479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7686 -8.7533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7139 -8.9556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5066 -9.8637 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7857 4.6912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8422 -10.1393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1944 -9.1248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7825 -9.2276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 86 1 0 0 0 0 2100 1 0 0 0 0 3 4 1 0 0 0 0 3107 1 0 0 0 0 4120 1 0 0 0 0 5 64 2 0 0 0 0 6 65 2 0 0 0 0 7 70 2 0 0 0 0 8 71 2 0 0 0 0 9 77 1 0 0 0 0 9176 1 0 0 0 0 10 78 1 0 0 0 0 10179 1 0 0 0 0 11 78 2 0 0 0 0 12 80 2 0 0 0 0 13 81 2 0 0 0 0 14 87 2 0 0 0 0 15 90 2 0 0 0 0 16 94 2 0 0 0 0 17105 2 0 0 0 0 18106 2 0 0 0 0 19109 2 0 0 0 0 20110 2 0 0 0 0 21111 2 0 0 0 0 22112 2 0 0 0 0 23117 2 0 0 0 0 24122 2 0 0 0 0 25127 2 0 0 0 0 26130 2 0 0 0 0 27134 2 0 0 0 0 28135 2 0 0 0 0 29 60 1 0 0 0 0 29 63 1 0 0 0 0 29 65 1 0 0 0 0 30 64 1 0 0 0 0 30 67 1 0 0 0 0 30147 1 0 0 0 0 31 66 1 0 0 0 0 31 71 1 0 0 0 0 31152 1 0 0 0 0 32 70 1 0 0 0 0 32 75 1 0 0 0 0 32160 1 0 0 0 0 33 72 1 0 0 0 0 33 81 1 0 0 0 0 33164 1 0 0 0 0 34 80 1 0 0 0 0 34 85 1 0 0 0 0 34174 1 0 0 0 0 35 82 1 0 0 0 0 35 90 1 0 0 0 0 35180 1 0 0 0 0 36 84 1 0 0 0 0 36181 1 0 0 0 0 36182 1 0 0 0 0 37 87 1 0 0 0 0 37 89 1 0 0 0 0 37189 1 0 0 0 0 38 92 1 0 0 0 0 38106 1 0 0 0 0 38200 1 0 0 0 0 39 94 1 0 0 0 0 39 99 1 0 0 0 0 39201 1 0 0 0 0 40 98 1 0 0 0 0 40105 1 0 0 0 0 40212 1 0 0 0 0 41101 1 0 0 0 0 41109 1 0 0 0 0 41213 1 0 0 0 0 42102 1 0 0 0 0 42117 1 0 0 0 0 42223 1 0 0 0 0 43110 1 0 0 0 0 43114 1 0 0 0 0 43224 1 0 0 0 0 44112 1 0 0 0 0 44115 1 0 0 0 0 44225 1 0 0 0 0 45122 1 0 0 0 0 45123 1 0 0 0 0 45240 1 0 0 0 0 46111 1 0 0 0 0 46241 1 0 0 0 0 46242 1 0 0 0 0 47113 1 0 0 0 0 47245 1 0 0 0 0 47246 1 0 0 0 0 48119 1 0 0 0 0 48131 1 0 0 0 0 48247 1 0 0 0 0 49121 1 0 0 0 0 49133 1 0 0 0 0 49248 1 0 0 0 0 50127 1 0 0 0 0 50129 1 0 0 0 0 50252 1 0 0 0 0 51130 1 0 0 0 0 51255 1 0 0 0 0 51256 1 0 0 0 0 52131 1 0 0 0 0 52257 1 0 0 0 0 52258 1 0 0 0 0 53133 1 0 0 0 0 53259 1 0 0 0 0 53260 1 0 0 0 0 54131 2 0 0 0 0 54261 1 0 0 0 0 55136 1 0 0 0 0 55138 1 0 0 0 0 55262 1 0 0 0 0 56134 1 0 0 0 0 56263 1 0 0 0 0 56264 1 0 0 0 0 57133 2 0 0 0 0 57266 1 0 0 0 0 58135 1 0 0 0 0 58267 1 0 0 0 0 58268 1 0 0 0 0 59137 1 0 0 0 0 59138 2 0 0 0 0 60 61 1 0 0 0 0 60 64 1 0 0 0 0 60139 1 0 0 0 0 61 62 1 0 0 0 0 61140 1 0 0 0 0 61141 1 0 0 0 0 62 63 1 0 0 0 0 62142 1 0 0 0 0 62143 1 0 0 0 0 63144 1 0 0 0 0 63145 1 0 0 0 0 65 66 1 0 0 0 0 66 68 1 0 0 0 0 66146 1 0 0 0 0 67 69 1 0 0 0 0 67 70 1 0 0 0 0 67148 1 0 0 0 0 68149 1 0 0 0 0 68150 1 0 0 0 0 68151 1 0 0 0 0 69 73 1 0 0 0 0 69153 1 0 0 0 0 69154 1 0 0 0 0 71 72 1 0 0 0 0 72 74 1 0 0 0 0 72155 1 0 0 0 0 73 78 1 0 0 0 0 73156 1 0 0 0 0 73157 1 0 0 0 0 74 76 1 0 0 0 0 74158 1 0 0 0 0 74159 1 0 0 0 0 75 77 1 0 0 0 0 75 80 1 0 0 0 0 75161 1 0 0 0 0 76 79 1 0 0 0 0 76162 1 0 0 0 0 76163 1 0 0 0 0 77 83 1 0 0 0 0 77165 1 0 0 0 0 79 84 1 0 0 0 0 79166 1 0 0 0 0 79167 1 0 0 0 0 81 82 1 0 0 0 0 82 86 1 0 0 0 0 82168 1 0 0 0 0 83169 1 0 0 0 0 83170 1 0 0 0 0 83171 1 0 0 0 0 84172 1 0 0 0 0 84173 1 0 0 0 0 85 87 1 0 0 0 0 85 88 1 0 0 0 0 85175 1 0 0 0 0 86177 1 0 0 0 0 86178 1 0 0 0 0 88183 1 0 0 0 0 88184 1 0 0 0 0 88185 1 0 0 0 0 89 91 1 0 0 0 0 89 94 1 0 0 0 0 89186 1 0 0 0 0 90 92 1 0 0 0 0 91 93 1 0 0 0 0 91187 1 0 0 0 0 91188 1 0 0 0 0 92 95 1 0 0 0 0 92190 1 0 0 0 0 93 96 1 0 0 0 0 93 97 1 0 0 0 0 93191 1 0 0 0 0 95111 1 0 0 0 0 95192 1 0 0 0 0 95193 1 0 0 0 0 96194 1 0 0 0 0 96195 1 0 0 0 0 96196 1 0 0 0 0 97197 1 0 0 0 0 97198 1 0 0 0 0 97199 1 0 0 0 0 98100 1 0 0 0 0 98110 1 0 0 0 0 98202 1 0 0 0 0 99107 1 0 0 0 0 99112 1 0 0 0 0 99203 1 0 0 0 0 100204 1 0 0 0 0 100205 1 0 0 0 0 101103 1 0 0 0 0 101105 1 0 0 0 0 101206 1 0 0 0 0 102104 1 0 0 0 0 102109 1 0 0 0 0 102207 1 0 0 0 0 103108 1 0 0 0 0 103208 1 0 0 0 0 103209 1 0 0 0 0 104116 1 0 0 0 0 104210 1 0 0 0 0 104211 1 0 0 0 0 106113 1 0 0 0 0 107214 1 0 0 0 0 107215 1 0 0 0 0 108119 1 0 0 0 0 108216 1 0 0 0 0 108217 1 0 0 0 0 113120 1 0 0 0 0 113219 1 0 0 0 0 114118 1 0 0 0 0 114122 1 0 0 0 0 114218 1 0 0 0 0 115117 1 0 0 0 0 115124 1 0 0 0 0 115220 1 0 0 0 0 116121 1 0 0 0 0 116221 1 0 0 0 0 116222 1 0 0 0 0 118125 1 0 0 0 0 118226 1 0 0 0 0 118227 1 0 0 0 0 119228 1 0 0 0 0 119229 1 0 0 0 0 120230 1 0 0 0 0 120231 1 0 0 0 0 121232 1 0 0 0 0 121233 1 0 0 0 0 123126 1 0 0 0 0 123127 1 0 0 0 0 123234 1 0 0 0 0 124235 1 0 0 0 0 124236 1 0 0 0 0 124237 1 0 0 0 0 125130 1 0 0 0 0 125238 1 0 0 0 0 125239 1 0 0 0 0 126128 1 0 0 0 0 126243 1 0 0 0 0 126244 1 0 0 0 0 128134 1 0 0 0 0 128249 1 0 0 0 0 128250 1 0 0 0 0 129132 1 0 0 0 0 129135 1 0 0 0 0 129251 1 0 0 0 0 132136 1 0 0 0 0 132253 1 0 0 0 0 132254 1 0 0 0 0 136137 2 0 0 0 0 137265 1 0 0 0 0 138269 1 0 0 0 0 M END > 16129677 > 1 > 4320 > 33 > 31 > 37 > AAADcfB//gBwAAAAAAAAAAAAAAAAAWLAAAAAAAAAAAAAAAABgAAAHgQQCAAADTzl1gavmBfJkgCoARX3fAAAgC2xEqABUYG4cAiCeB5A2SGUQAAOtgLQQCG9HwIMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > 3-[50-amino-40-[[4-amino-1-[[4-amino-1-[[2-amino-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]carbamoyl]-4-oxo-butyl]carbamoyl]-4-oxo-butyl]carbamoyl]-4-(4-aminobutyl)-47-(2-amino-2-oxo-ethyl)-34,37-bis(3-guanidinopropyl)-19-(1-hydroxyethyl)-25-isobutyl-7,22,31-trimethyl-2,5,8,14,17,20,23,26,29,32,35,38,46,49-tetradecaoxo-42,43,52,53-tetrathia-3,6,9,15,18,21,24,27,30,33,36,39,45,48-tetradecazatricyclo[26.16.10.09,13]tetrapentacontan-16-yl]propanoic acid > 3-[50-amino-40-[[[5-amino-1-[[5-amino-1-[[1-amino-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-oxomethyl]-4-(4-aminobutyl)-47-(2-amino-2-oxoethyl)-34,37-bis(3-carbamimidamidopropyl)-19-(1-hydroxyethyl)-7,22,31-trimethyl-25-(2-methylpropyl)-2,5,8,14,17,20,23,26,29,32,35,38,46,49-tetradecaoxo-42,43,52,53-tetrathia-3,6,9,15,18,21,24,27,30,33,36,39,45,48-tetradecazatricyclo[26.16.10.09,13]tetrapentacontan-16-yl]propanoic acid > 3-[50-amino-40-[[5-amino-1-[[5-amino-1-[[1-amino-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]carbamoyl]-4-(4-aminobutyl)-47-(2-amino-2-oxoethyl)-34,37-bis(3-carbamimidamidopropyl)-19-(1-hydroxyethyl)-7,22,31-trimethyl-25-(2-methylpropyl)-2,5,8,14,17,20,23,26,29,32,35,38,46,49-tetradecaoxo-42,43,52,53-tetrathia-3,6,9,15,18,21,24,27,30,33,36,39,45,48-tetradecazatricyclo[26.16.10.09,13]tetrapentacontan-16-yl]propanoic acid > 3-[50-amino-40-[[5-amino-1-[[5-amino-1-[[1-amino-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]carbamoyl]-4-(4-aminobutyl)-47-(2-amino-2-oxoethyl)-34,37-bis(3-carbamimidamidopropyl)-19-(1-hydroxyethyl)-7,22,31-trimethyl-25-(2-methylpropyl)-2,5,8,14,17,20,23,26,29,32,35,38,46,49-tetradecaoxo-42,43,52,53-tetrathia-3,6,9,15,18,21,24,27,30,33,36,39,45,48-tetradecazatricyclo[26.16.10.09,13]tetrapentacontan-16-yl]propanoic acid > 3-[50-azanyl-40-[[5-azanyl-1-[[5-azanyl-1-[[1-azanyl-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]amino]-1,5-bis(oxidanylidene)pentan-2-yl]amino]-1,5-bis(oxidanylidene)pentan-2-yl]carbamoyl]-4-(4-azanylbutyl)-47-(2-azanyl-2-oxidanylidene-ethyl)-34,37-bis(3-carbamimidamidopropyl)-19-(1-hydroxyethyl)-7,22,31-trimethyl-25-(2-methylpropyl)-2,5,8,14,17,20,23,26,29,32,35,38,46,49-tetradecakis(oxidanylidene)-42,43,52,53-tetrathia-3,6,9,15,18,21,24,27,30,33,36,39,45,48-tetradecazatricyclo[26.16.10.09,13]tetrapentacontan-16-yl]propanoic acid > 3-[50-amino-40-[[4-amino-1-[[4-amino-1-[[2-amino-1-(1H-imidazol-5-ylmethyl)-2-keto-ethyl]carbamoyl]-4-keto-butyl]carbamoyl]-4-keto-butyl]carbamoyl]-4-(4-aminobutyl)-47-(2-amino-2-keto-ethyl)-34,37-bis(3-guanidinopropyl)-19-(1-hydroxyethyl)-25-isobutyl-2,5,8,14,17,20,23,26,29,32,35,38,46,49-tetradecaketo-7,22,31-trimethyl-42,43,52,53-tetrathia-3,6,9,15,18,21,24,27,30,33,36,39,45,48-tetradecazatricyclo[26.16.10.09,13]tetrapentacontan-16-yl]propionic acid > InChI=1S/C79H131N31O24S4/c1-35(2)26-49-70(127)107-51-31-136-135-30-41(81)63(120)105-50(28-57(84)114)71(128)108-53(73(130)99-42(12-7-8-22-80)64(121)96-38(5)77(134)110-25-11-15-54(110)75(132)102-47(18-21-58(115)116)69(126)109-59(39(6)111)76(133)95-37(4)62(119)104-49)33-138-137-32-52(106-66(123)44(14-10-24-92-79(88)89)98-65(122)43(13-9-23-91-78(86)87)97-61(118)36(3)94-72(51)129)74(131)101-45(16-19-55(82)112)67(124)100-46(17-20-56(83)113)68(125)103-48(60(85)117)27-40-29-90-34-93-40/h29,34-39,41-54,59,111H,7-28,30-33,80-81H2,1-6H3,(H2,82,112)(H2,83,113)(H2,84,114)(H2,85,117)(H,90,93)(H,94,129)(H,95,133)(H,96,121)(H,97,118)(H,98,122)(H,99,130)(H,100,124)(H,101,131)(H,102,132)(H,103,125)(H,104,119)(H,105,120)(H,106,123)(H,107,127)(H,108,128)(H,109,126)(H,115,116)(H4,86,87,91)(H4,88,89,92) > YVIIHEKJCKCXOB-UHFFFAOYSA-N > -13.4 > 2025.8866089 > C79H131N31O24S4 > 2027.4 > CC1C(=O)NC(C(=O)NC(C(=O)NC(CSSCC2C(=O)NC(C(=O)NC(C(=O)N3CCCC3C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)N2)CC(=O)N)N)C(=O)N1)CC(C)C)C)C(C)O)CCC(=O)O)C)CCCCN)C(=O)NC(CCC(=O)N)C(=O)NC(CCC(=O)N)C(=O)NC(CC4=CN=CN4)C(=O)N)CCCNC(=N)N)CCCNC(=N)N > CC1C(=O)NC(C(=O)NC(C(=O)NC(CSSCC2C(=O)NC(C(=O)NC(C(=O)N3CCCC3C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)N2)CC(=O)N)N)C(=O)N1)CC(C)C)C)C(C)O)CCC(=O)O)C)CCCCN)C(=O)NC(CCC(=O)N)C(=O)NC(CCC(=O)N)C(=O)NC(CC4=CN=CN4)C(=O)N)CCCNC(=N)N)CCCNC(=N)N > 1020 > 2025.8866089 > 0 > 138 > 0 > 19 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 101 103 3 102 104 3 114 118 3 115 124 3 123 126 3 129 132 3 136 137 8 113 47 3 55 136 8 55 138 8 59 137 8 59 138 8 60 61 3 66 68 3 67 69 3 72 74 3 75 80 3 82 86 3 85 88 3 89 91 3 77 9 3 92 95 3 98 110 3 99 107 3 $$$$