B3E4GR -OEChem-04022115483D 43 46 0 0 0 0 0 0 0999 V2000 3.5979 -3.3059 -0.0168 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6212 1.2729 0.0184 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4710 0.3432 0.0120 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8788 4.3088 0.0424 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8235 -0.9497 0.0018 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3577 2.5188 0.0283 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0044 2.1157 0.0245 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6459 0.4369 0.0115 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7711 -0.1250 0.0093 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8642 -1.0639 0.0030 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5544 1.1758 0.0177 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1926 0.8399 0.0158 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1136 2.9538 0.0315 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1542 -0.8399 0.0021 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0374 -2.0199 -0.0074 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9802 5.2422 0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4469 4.8235 -0.2066 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1497 0.1382 0.0109 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4122 -1.9791 -0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2678 -1.2385 0.0017 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8455 -3.3264 -0.0186 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7044 -4.0946 -0.0235 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8106 -2.5233 -0.0057 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1091 -0.1261 0.0078 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1949 -2.6958 -0.0073 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4932 -0.2984 0.0064 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0361 -1.5832 -0.0012 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4850 -1.1006 0.0026 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6505 6.2591 0.2893 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7271 4.9723 0.8048 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4660 5.2692 -0.9311 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4896 5.9141 -0.1139 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7756 4.5663 -1.2193 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1677 4.4170 0.5113 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0370 -1.0966 -0.0017 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3179 -1.9215 -0.0021 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8621 -3.6920 -0.0221 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5196 -5.1588 -0.0315 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1663 -3.3988 -0.0105 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7647 0.8984 0.0136 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6176 -3.6962 -0.0132 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1496 0.5671 0.0111 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1139 -1.7174 -0.0023 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 22 1 0 0 0 0 2 18 2 0 0 0 0 3 5 1 0 0 0 0 3 11 1 0 0 0 0 3 12 1 0 0 0 0 4 13 1 0 0 0 0 4 16 1 0 0 0 0 4 17 1 0 0 0 0 5 14 2 0 0 0 0 6 11 1 0 0 0 0 6 13 2 0 0 0 0 7 12 2 0 0 0 0 7 13 1 0 0 0 0 8 11 2 0 0 0 0 8 14 1 0 0 0 0 9 12 1 0 0 0 0 9 18 1 0 0 0 0 9 28 1 0 0 0 0 10 18 1 0 0 0 0 10 20 1 0 0 0 0 10 36 1 0 0 0 0 14 15 1 0 0 0 0 15 19 2 0 0 0 0 16 29 1 0 0 0 0 16 30 1 0 0 0 0 16 31 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 19 21 1 0 0 0 0 19 35 1 0 0 0 0 20 23 2 0 0 0 0 20 24 1 0 0 0 0 21 22 2 0 0 0 0 21 37 1 0 0 0 0 22 38 1 0 0 0 0 23 25 1 0 0 0 0 23 39 1 0 0 0 0 24 26 2 0 0 0 0 24 40 1 0 0 0 0 25 27 2 0 0 0 0 25 41 1 0 0 0 0 26 27 1 0 0 0 0 26 42 1 0 0 0 0 27 43 1 0 0 0 0 M END $$$$