B7H9JQ -OEChem-04012113122D 40 42 0 0 0 0 0 0 0999 V2000 3.8968 -2.8284 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.2212 4.3284 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.6180 4.1072 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.9316 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.5100 0.5233 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.8968 -2.8284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8968 -2.8284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8968 1.1716 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0878 1.7594 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8968 -3.8284 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7058 1.7594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8968 0.1716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6569 1.4503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8968 -1.8284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3968 2.7104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3968 2.7104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7628 -0.3284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0308 -0.3284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7628 -1.3284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0308 -1.3284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4000 2.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8648 0.4722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8090 3.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3511 1.8104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8158 0.1632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5590 0.8323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0308 -4.3284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7612 3.2120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2998 -0.0184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4938 -0.0184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2998 -1.6384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4938 -1.6384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2711 2.7259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4040 0.0573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4337 -4.1384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8118 2.2253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9448 -0.4433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7208 -3.7915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4938 -4.6384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3408 -4.8654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 1 7 2 0 0 0 0 1 10 1 0 0 0 0 1 14 1 0 0 0 0 2 23 1 0 0 0 0 3 23 1 0 0 0 0 4 23 1 0 0 0 0 5 26 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 9 16 2 0 0 0 0 10 27 1 0 0 0 0 10 35 1 0 0 0 0 11 13 1 0 0 0 0 11 15 2 0 0 0 0 12 17 2 0 0 0 0 12 18 1 0 0 0 0 13 21 2 0 0 0 0 13 22 1 0 0 0 0 14 19 2 0 0 0 0 14 20 1 0 0 0 0 15 16 1 0 0 0 0 15 28 1 0 0 0 0 16 23 1 0 0 0 0 17 19 1 0 0 0 0 17 29 1 0 0 0 0 18 20 2 0 0 0 0 18 30 1 0 0 0 0 19 31 1 0 0 0 0 20 32 1 0 0 0 0 21 24 1 0 0 0 0 21 33 1 0 0 0 0 22 25 2 0 0 0 0 22 34 1 0 0 0 0 24 26 2 0 0 0 0 24 36 1 0 0 0 0 25 26 1 0 0 0 0 25 37 1 0 0 0 0 27 38 1 0 0 0 0 27 39 1 0 0 0 0 27 40 1 0 0 0 0 M END $$$$