B3DVR0 -OEChem-04012118122D 45 48 0 1 0 0 0 0 0999 V2000 9.1857 3.2384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5357 -1.0692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4831 -2.6184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2151 -2.6117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9288 0.9831 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9288 1.9831 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0628 0.4831 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1968 0.9831 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0628 2.4831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8750 0.6784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1968 1.9831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0789 -0.5584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8750 2.2878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4586 1.4831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2868 0.4763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9288 2.9831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -1.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2787 -0.5653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3599 1.0404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3433 -1.1151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4120 0.5124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4037 -0.5726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3472 -2.1150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0188 0.1379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8022 0.0638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9329 1.4081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4613 2.9581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6643 2.9581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6240 0.1115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4124 0.3692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9847 2.5657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5862 1.8755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2969 -1.1388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6880 -0.4429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9195 1.0684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9195 1.8978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5488 2.9831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9288 3.6031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3088 2.9831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7835 -1.5621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5818 -1.5590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3719 1.6602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8787 0.8286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.7571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4855 -3.2384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 2 0 0 0 0 2 22 1 0 0 0 0 2 44 1 0 0 0 0 3 23 1 0 0 0 0 3 45 1 0 0 0 0 4 23 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 10 1 0 0 0 0 5 24 1 6 0 0 0 6 9 1 0 0 0 0 6 13 1 0 0 0 0 6 16 1 1 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 7 25 1 1 0 0 0 8 11 1 0 0 0 0 8 15 1 0 0 0 0 8 26 1 6 0 0 0 9 11 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 14 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 17 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 18 2 0 0 0 0 15 19 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 18 20 1 0 0 0 0 19 21 2 0 0 0 0 19 42 1 0 0 0 0 20 22 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 M END $$$$