B6S3WL -OEChem-04042107163D 35 37 0 0 0 0 0 0 0999 V2000 -0.3305 2.3489 -0.0074 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4607 -1.1974 0.0123 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9327 1.2660 -0.0118 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6198 0.2037 -0.0208 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0287 0.4328 -0.0027 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5480 -0.8784 0.0037 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7790 0.5288 -0.0112 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1271 -0.8023 -0.0016 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4707 1.1026 -0.0208 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3947 0.7366 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4743 -1.9401 0.0133 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0099 0.4754 -0.0066 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2947 -0.3329 0.0102 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8438 -1.6514 0.0166 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9059 -0.5798 -0.0106 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2747 -0.3115 0.0027 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4409 1.7908 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7266 1.0080 0.0196 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8097 2.0591 0.0232 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2312 -1.4068 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7450 -2.8521 -0.0183 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9772 2.2759 -0.0182 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4589 -1.6525 0.0013 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7466 1.7628 -0.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1366 -2.9725 0.0183 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4037 -0.7893 -0.0305 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3629 -0.1315 0.0127 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5628 -2.4663 0.0242 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5230 -1.5957 -0.0238 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7961 2.6565 0.0139 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7878 1.2427 0.0305 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1627 3.0864 0.0364 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1699 -3.0462 -0.9273 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1550 -3.0642 0.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6116 -3.5209 -0.0178 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 2 0 0 0 0 2 20 2 0 0 0 0 3 5 1 0 0 0 0 3 7 1 0 0 0 0 3 22 1 0 0 0 0 4 9 1 0 0 0 0 4 12 1 0 0 0 0 4 26 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 8 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 8 23 1 0 0 0 0 10 13 1 0 0 0 0 10 24 1 0 0 0 0 11 14 1 0 0 0 0 11 25 1 0 0 0 0 12 15 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 27 1 0 0 0 0 14 28 1 0 0 0 0 15 16 2 0 0 0 0 15 29 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 0 0 0 0 17 19 1 0 0 0 0 17 30 1 0 0 0 0 18 19 2 0 0 0 0 18 31 1 0 0 0 0 19 32 1 0 0 0 0 20 21 1 0 0 0 0 21 33 1 0 0 0 0 21 34 1 0 0 0 0 21 35 1 0 0 0 0 M END $$$$