BVA4P5 -OEChem-04022115103D 49 53 0 0 0 0 0 0 0999 V2000 7.5818 0.8393 1.0490 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.0360 -2.0656 -2.0619 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.5483 1.3683 1.0918 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.3015 -1.3749 -3.3101 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0977 -3.5138 -2.0130 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0281 -1.3891 -0.8292 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0567 1.4261 0.4947 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4175 -1.5762 -1.5385 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7250 -1.6881 0.5378 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2783 -0.7002 1.4153 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1333 -0.8045 -0.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1034 0.6650 0.9791 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3214 -2.4024 -0.6915 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1189 -0.3642 -1.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5967 -2.0165 -0.2793 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3943 0.0217 -1.5607 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8848 -2.9991 0.9868 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9910 -1.0232 2.7415 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4568 -0.4047 -0.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1750 2.8348 0.4364 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5397 2.6740 0.1786 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5979 -3.3221 2.3131 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1510 -2.3341 3.1904 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4209 -1.3731 -0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7682 0.9484 -0.1544 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5070 4.0408 0.1695 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2590 3.7602 -0.3654 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2422 5.0999 -0.3688 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6003 4.9635 -0.6336 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6964 -0.9883 0.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0437 1.3333 0.2586 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0077 0.3650 0.5388 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3838 -0.4408 -1.0053 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0776 -3.3485 -0.3374 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4401 0.2954 -2.6305 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1219 -2.6775 0.4046 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7814 0.9606 -1.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2507 -3.7803 0.3266 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6527 -0.2704 3.4497 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7271 -4.3417 2.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9310 -2.5852 4.2239 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2339 -2.4368 -0.1255 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0412 1.7364 -0.3311 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5535 4.1538 0.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3203 3.6645 -0.5763 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7442 6.0419 -0.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1558 5.7981 -1.0525 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4401 -1.7531 0.6147 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2707 2.3911 0.3647 H 0 0 0 0 0 0 0 0 0 0 0 0 1 32 1 0 0 0 0 2 4 2 0 0 0 0 2 5 2 0 0 0 0 2 6 1 0 0 0 0 2 8 1 0 0 0 0 3 12 1 0 0 0 0 3 20 1 0 0 0 0 6 9 1 0 0 0 0 6 33 1 0 0 0 0 7 12 2 0 0 0 0 7 21 1 0 0 0 0 8 13 2 0 0 0 0 8 14 1 0 0 0 0 9 10 1 0 0 0 0 9 17 2 0 0 0 0 10 12 1 0 0 0 0 10 18 2 0 0 0 0 11 15 2 0 0 0 0 11 16 1 0 0 0 0 11 19 1 0 0 0 0 13 15 1 0 0 0 0 13 34 1 0 0 0 0 14 16 2 0 0 0 0 14 35 1 0 0 0 0 15 36 1 0 0 0 0 16 37 1 0 0 0 0 17 22 1 0 0 0 0 17 38 1 0 0 0 0 18 23 1 0 0 0 0 18 39 1 0 0 0 0 19 24 2 0 0 0 0 19 25 1 0 0 0 0 20 21 1 0 0 0 0 20 26 2 0 0 0 0 21 27 2 0 0 0 0 22 23 2 0 0 0 0 22 40 1 0 0 0 0 23 41 1 0 0 0 0 24 30 1 0 0 0 0 24 42 1 0 0 0 0 25 31 2 0 0 0 0 25 43 1 0 0 0 0 26 28 1 0 0 0 0 26 44 1 0 0 0 0 27 29 1 0 0 0 0 27 45 1 0 0 0 0 28 29 2 0 0 0 0 28 46 1 0 0 0 0 29 47 1 0 0 0 0 30 32 2 0 0 0 0 30 48 1 0 0 0 0 31 32 1 0 0 0 0 31 49 1 0 0 0 0 M END $$$$