B7COD4 -OEChem-04012113223D 47 49 0 1 0 0 0 0 0999 V2000 -3.3142 1.7334 0.9025 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5023 -1.0252 -0.2835 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8320 1.2759 -1.6614 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8388 0.0288 1.0270 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7045 1.8161 -2.3448 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1651 1.1950 0.7818 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1152 0.8714 0.3954 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2251 -0.5473 0.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0144 -1.0514 0.8058 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2186 -0.0582 1.4598 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8063 2.5183 0.9382 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1791 1.8325 0.0358 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2633 -1.4538 0.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2686 -2.4222 0.9275 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1583 -0.1352 0.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6420 3.0732 2.3305 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0236 -2.8277 0.2305 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7763 -3.3022 0.6316 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6796 1.6078 -1.3933 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6453 -0.1165 -1.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5256 -0.2234 0.5104 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5162 -0.1877 -2.0902 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3965 -0.2944 -0.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4723 -2.0309 -0.5524 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8917 -0.2765 -1.8772 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3252 -0.9494 2.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4560 0.8040 2.0893 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8703 2.4868 0.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3733 3.2267 0.2218 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8370 2.8699 0.1005 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2360 -2.8048 1.2342 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4161 3.2034 2.5838 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1266 4.0518 2.4097 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0837 2.4181 3.0883 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7679 -3.5895 0.0236 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6102 -4.3734 0.7153 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5930 -0.0482 -1.2495 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9259 -0.2377 1.5202 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6713 0.8317 0.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1243 -0.1735 -3.1031 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4677 -0.3635 -0.4113 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7602 2.1005 -2.1049 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9067 1.6978 -3.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7138 -2.6116 0.3444 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1759 -2.6652 -1.3948 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3922 -1.5182 -0.8528 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5698 -0.3317 -2.7238 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 39 1 0 0 0 0 2 13 1 0 0 0 0 2 24 1 0 0 0 0 3 19 2 0 0 0 0 4 6 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 5 19 1 0 0 0 0 5 42 1 0 0 0 0 5 43 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 9 14 1 0 0 0 0 10 15 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 16 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 19 1 0 0 0 0 12 30 1 0 0 0 0 13 17 2 0 0 0 0 14 18 2 0 0 0 0 14 31 1 0 0 0 0 15 20 2 0 0 0 0 15 21 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 18 36 1 0 0 0 0 20 22 1 0 0 0 0 20 37 1 0 0 0 0 21 23 2 0 0 0 0 21 38 1 0 0 0 0 22 25 2 0 0 0 0 22 40 1 0 0 0 0 23 25 1 0 0 0 0 23 41 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 25 47 1 0 0 0 0 M END $$$$