B4NJW1 -OEChem-04012113522D 43 46 0 0 0 0 0 0 0999 V2000 8.4367 1.6208 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.3143 2.2198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9094 0.4966 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3017 -1.6502 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2518 -0.7028 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.2611 1.2652 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9367 0.0819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9367 0.0819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6277 1.0330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6217 -0.7028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2457 1.0330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9320 0.7082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6123 1.2652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6267 1.6605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2312 -0.4941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6422 -0.4941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2600 -0.0323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6493 1.8722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9773 1.1316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9641 0.4966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2827 0.1794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2987 2.4010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9622 -2.4010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3212 -1.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.3433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8182 -0.9564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0553 -0.9564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4493 -0.6227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4600 2.4625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5700 0.6278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7578 1.9844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7153 2.8602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8395 2.8177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4967 -2.8106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3717 -2.8666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4277 -1.9915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1993 -1.2389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7133 -1.9687 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4431 -2.4547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1312 1.9492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3940 1.4745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8688 0.7373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 11 1 0 0 0 0 2 13 2 0 0 0 0 3 12 1 0 0 0 0 3 13 1 0 0 0 0 3 15 1 0 0 0 0 4 10 1 0 0 0 0 4 23 1 0 0 0 0 4 24 1 0 0 0 0 5 8 1 0 0 0 0 5 15 2 0 0 0 0 6 11 2 0 0 0 0 6 20 1 0 0 0 0 7 8 1 0 0 0 0 7 10 2 0 0 0 0 7 11 1 0 0 0 0 8 9 2 0 0 0 0 9 13 1 0 0 0 0 10 16 1 0 0 0 0 12 14 2 0 0 0 0 12 17 1 0 0 0 0 14 18 1 0 0 0 0 14 22 1 0 0 0 0 15 26 1 0 0 0 0 16 20 2 0 0 0 0 16 27 1 0 0 0 0 17 21 2 0 0 0 0 17 28 1 0 0 0 0 18 19 2 0 0 0 0 18 29 1 0 0 0 0 19 21 1 0 0 0 0 19 25 1 0 0 0 0 20 31 1 0 0 0 0 21 30 1 0 0 0 0 22 32 1 0 0 0 0 22 33 1 0 0 0 0 22 34 1 0 0 0 0 23 35 1 0 0 0 0 23 36 1 0 0 0 0 23 37 1 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 M END $$$$