B1QL4V -OEChem-04042106333D 39 41 0 0 0 0 0 0 0999 V2000 -2.8933 1.6237 1.9263 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6873 1.7541 -2.0059 O 0 5 0 0 0 0 0 0 0 0 0 0 1.5510 3.1631 -0.5610 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0357 -1.0640 -0.1893 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3512 1.9965 -0.9715 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.5016 -0.8112 -0.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3165 0.2628 0.6724 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9922 -0.8942 -0.5037 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6477 0.0060 0.3391 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6548 0.7629 1.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1718 0.7348 1.1693 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1829 0.2912 0.7917 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7256 -1.7266 -1.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0251 0.1132 0.3915 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8980 0.9068 -0.2358 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7422 -0.6082 0.1402 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7477 -0.7738 1.4936 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1776 0.4570 -0.5614 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1212 -1.6379 -1.2976 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7651 -0.7255 -0.4429 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0271 -1.2238 1.1678 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7842 -0.4366 -1.2603 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6301 -2.1706 0.5336 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0991 -1.7691 -0.0252 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0517 -0.5223 -1.3236 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1870 1.5192 1.9228 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2358 -2.4328 -1.9939 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5196 0.8170 1.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2039 -1.2644 2.2976 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7065 0.9591 -1.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7170 -2.2818 -1.9392 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4218 -2.0555 1.7429 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8506 -0.6747 -0.4337 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7664 -0.9033 -1.3948 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9701 0.6218 -1.0464 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2610 -0.5324 -2.2182 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6348 -2.4032 0.1632 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0363 -3.0841 0.4172 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7383 -1.9357 1.5984 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 2 0 0 0 0 2 5 1 0 0 0 0 3 5 2 0 0 0 0 4 16 1 0 0 0 0 4 22 1 0 0 0 0 4 23 1 0 0 0 0 5 15 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 7 10 1 0 0 0 0 7 11 2 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 11 12 1 0 0 0 0 11 26 1 0 0 0 0 12 15 2 0 0 0 0 12 17 1 0 0 0 0 13 19 1 0 0 0 0 13 27 1 0 0 0 0 14 20 1 0 0 0 0 14 28 1 0 0 0 0 15 18 1 0 0 0 0 16 18 2 0 0 0 0 16 21 1 0 0 0 0 17 21 2 0 0 0 0 17 29 1 0 0 0 0 18 30 1 0 0 0 0 19 20 2 0 0 0 0 19 31 1 0 0 0 0 20 33 1 0 0 0 0 21 32 1 0 0 0 0 22 34 1 0 0 0 0 22 35 1 0 0 0 0 22 36 1 0 0 0 0 23 37 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 M CHG 2 2 -1 5 1 M END $$$$