BK70BD -OEChem-04022115223D 30 32 0 0 0 0 0 0 0999 V2000 -4.5790 1.5695 0.0153 S 0 0 0 0 0 0 0 0 0 0 0 0 5.0864 0.1947 0.0850 P 0 0 0 0 0 0 0 0 0 0 0 0 2.6725 -0.6175 0.0017 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8318 1.6241 -0.0309 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3636 -0.4872 -1.3539 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4790 -0.6331 1.2721 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9874 -0.9899 -0.0106 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.3045 -0.4766 -0.0081 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7239 0.6596 0.0099 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6765 1.8501 0.0215 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4476 -0.5666 -0.0044 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9698 1.1124 0.0125 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8455 -0.2552 -0.0023 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6572 0.6608 0.0121 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8143 -1.7907 -0.0173 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3091 -0.5765 -0.0011 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5832 -1.7853 -0.0158 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9904 -0.1249 -0.0024 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3561 0.6322 0.0168 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5492 2.4417 0.9321 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5474 2.4606 -0.8763 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1572 1.6211 0.0206 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3658 -2.7237 -0.0282 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1175 -2.7327 -0.0256 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1187 1.2095 0.9168 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1638 1.2050 -0.8968 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5975 -1.4480 -0.0188 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0438 0.2184 -0.0018 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8110 1.6544 0.0181 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2571 -0.8431 -1.5466 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 18 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 2 0 0 0 0 2 19 1 0 0 0 0 3 16 1 0 0 0 0 3 19 1 0 0 0 0 4 29 1 0 0 0 0 5 30 1 0 0 0 0 7 13 1 0 0 0 0 7 18 2 0 0 0 0 8 18 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 9 14 1 0 0 0 0 10 12 1 0 0 0 0 10 20 1 0 0 0 0 10 21 1 0 0 0 0 11 13 1 0 0 0 0 11 15 1 0 0 0 0 12 13 2 0 0 0 0 14 16 2 0 0 0 0 14 22 1 0 0 0 0 15 17 2 0 0 0 0 15 23 1 0 0 0 0 16 17 1 0 0 0 0 17 24 1 0 0 0 0 19 25 1 0 0 0 0 19 26 1 0 0 0 0 M END $$$$