BS4V5K -OEChem-04012118202D 45 49 0 1 0 0 0 0 0999 V2000 6.7810 -3.4085 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.7590 -2.9904 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.5999 -1.6859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8311 0.8456 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.9957 -0.5633 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0274 3.3282 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0274 3.3282 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7029 2.1449 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3424 4.1130 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4189 0.0366 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4134 0.1412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0012 -0.6679 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0121 -0.8769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5944 -1.5814 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8370 0.8448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1391 1.7908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5274 1.7894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3364 2.3772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1822 -2.3904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7183 2.3772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7755 -3.3040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1767 -2.2859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7645 -3.0949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3633 -4.1130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3578 -4.0085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.9136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3219 3.9043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6710 0.6030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9706 0.4129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2425 0.7371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2534 -0.1015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4981 -0.5302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5814 -1.3229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2110 -1.5166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2308 0.7147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9027 0.2283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7051 1.5378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4502 2.3271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2479 0.0031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3601 -1.0649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4289 -1.7195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1111 -4.6794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7222 -4.5100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3940 2.7824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9088 4.3666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 2 23 1 0 0 0 0 3 13 1 0 0 0 0 3 14 1 0 0 0 0 10 4 1 6 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 12 5 1 6 0 0 0 5 39 1 0 0 0 0 5 40 1 0 0 0 0 6 7 1 0 0 0 0 6 18 2 0 0 0 0 7 9 1 0 0 0 0 7 20 1 0 0 0 0 8 20 1 0 0 0 0 8 26 2 0 0 0 0 9 27 2 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 10 28 1 0 0 0 0 11 12 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 14 1 0 0 0 0 12 31 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 19 1 1 0 0 0 14 34 1 0 0 0 0 15 17 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 18 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 17 20 2 0 0 0 0 19 21 2 0 0 0 0 19 22 1 0 0 0 0 21 24 1 0 0 0 0 22 23 2 0 0 0 0 22 41 1 0 0 0 0 23 25 1 0 0 0 0 24 25 2 0 0 0 0 24 42 1 0 0 0 0 25 43 1 0 0 0 0 26 27 1 0 0 0 0 26 44 1 0 0 0 0 27 45 1 0 0 0 0 M END $$$$