B3XMD0 -OEChem-04042103483D 38 40 0 0 0 0 0 0 0999 V2000 -0.0319 -1.7781 -1.0056 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6869 2.5993 1.5017 O 0 5 0 0 0 0 0 0 0 0 0 0 4.5009 2.5248 -0.5357 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8359 0.4586 -0.5635 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3927 -2.5688 -0.0086 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7027 2.1264 0.3426 N 0 3 0 0 0 0 0 0 0 0 0 0 0.6037 0.5129 -0.8372 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7209 0.9371 -1.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9056 -0.8404 -0.6663 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0800 -0.2667 0.1814 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1341 -1.2559 -0.1601 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5399 1.4818 -0.4983 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7764 1.0945 0.0102 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1071 0.8821 -1.1288 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2739 0.4018 -0.3073 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3169 -0.6844 0.6907 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5862 -2.0364 0.8482 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8600 -0.8334 -0.5830 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7686 1.1926 0.7297 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5987 -2.9302 0.4864 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9411 -1.2781 0.1782 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8496 0.7481 1.4910 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4359 -0.4873 1.2152 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7661 2.0321 -1.4464 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8066 0.5642 -2.4104 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3095 2.5369 -0.6287 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7429 0.8371 0.3796 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2158 0.4994 -2.1521 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1526 1.9765 -1.2056 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0919 0.0229 0.9743 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5371 -2.3773 1.2406 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4825 -1.4597 -1.3871 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3195 2.1561 0.9557 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7524 -3.9996 0.5871 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8599 -1.3612 -1.2902 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3972 -2.2402 -0.0361 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2346 1.3635 2.2988 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2774 -0.8334 1.8082 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 35 1 0 0 0 0 2 6 1 0 0 0 0 3 6 2 0 0 0 0 4 8 1 0 0 0 0 4 14 1 0 0 0 0 4 27 1 0 0 0 0 5 11 1 0 0 0 0 5 20 2 0 0 0 0 6 13 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 12 2 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 11 2 0 0 0 0 10 11 1 0 0 0 0 10 13 2 0 0 0 0 10 16 1 0 0 0 0 12 13 1 0 0 0 0 12 26 1 0 0 0 0 14 15 1 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 15 18 2 0 0 0 0 15 19 1 0 0 0 0 16 17 2 0 0 0 0 16 30 1 0 0 0 0 17 20 1 0 0 0 0 17 31 1 0 0 0 0 18 21 1 0 0 0 0 18 32 1 0 0 0 0 19 22 2 0 0 0 0 19 33 1 0 0 0 0 20 34 1 0 0 0 0 21 23 2 0 0 0 0 21 36 1 0 0 0 0 22 23 1 0 0 0 0 22 37 1 0 0 0 0 23 38 1 0 0 0 0 M CHG 2 2 -1 6 1 M END $$$$