BSQ9I3 -OEChem-04012117492D 50 53 0 1 0 0 0 0 0999 V2000 10.0884 1.3121 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.3318 -3.6474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1772 -1.5244 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.2023 0.5001 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5900 -1.9347 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3653 -3.2002 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2023 -1.3019 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.7684 -0.4009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5788 -2.0837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9591 -0.9009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9591 0.0991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1772 0.7226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3997 -2.4993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8530 -1.4356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8530 0.6338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3997 1.6975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7591 -0.9217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7591 0.1199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9665 -2.7165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3553 1.9923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6667 2.3777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9777 -2.5674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5778 2.9672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8892 3.3526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8448 3.6474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6123 -1.6366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3542 -3.3493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6235 -1.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4071 -1.8871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2837 -0.0143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2837 -0.7875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3814 -2.6714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1233 -2.3802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7953 -2.6373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5377 -3.1038 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0042 -2.3614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8458 -2.0555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3635 -1.3575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8458 1.2537 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2948 -1.2338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2948 0.4320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0742 2.1949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1703 3.1499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4347 3.7743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9828 4.2518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9989 -1.1518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5807 -3.9264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3970 -0.9104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3869 -2.1770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 2 19 2 0 0 0 0 3 7 1 0 0 0 0 3 10 1 0 0 0 0 3 13 1 0 0 0 0 4 8 1 0 0 0 0 4 12 2 0 0 0 0 5 9 1 0 0 0 0 5 19 1 0 0 0 0 5 39 1 0 0 0 0 6 27 1 0 0 0 0 6 29 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 30 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 10 14 2 0 0 0 0 11 12 1 0 0 0 0 11 15 2 0 0 0 0 12 16 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 17 1 0 0 0 0 14 38 1 0 0 0 0 15 18 1 0 0 0 0 15 40 1 0 0 0 0 16 20 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 41 1 0 0 0 0 18 42 1 0 0 0 0 19 22 1 0 0 0 0 20 23 2 0 0 0 0 21 24 1 0 0 0 0 21 43 1 0 0 0 0 22 26 1 0 0 0 0 22 27 2 0 0 0 0 23 25 1 0 0 0 0 23 44 1 0 0 0 0 24 25 2 0 0 0 0 24 45 1 0 0 0 0 25 46 1 0 0 0 0 26 28 2 0 0 0 0 26 47 1 0 0 0 0 27 48 1 0 0 0 0 28 29 1 0 0 0 0 28 49 1 0 0 0 0 29 50 1 0 0 0 0 M END $$$$