B5HQS9 -OEChem-04012118182D 67 71 0 1 0 0 0 0 0999 V2000 10.3991 0.3496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.1296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0969 1.3672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4815 -1.1642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.1296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3412 3.1011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.1296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.1296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.1296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.8704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 1.3704 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7331 1.8704 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8671 1.3704 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5991 0.3704 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8671 0.3704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.1296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4931 1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7492 2.9119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 2.3704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.8704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9571 1.8772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3991 1.3912 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4931 -0.1643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8511 3.4396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9490 2.9188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2632 1.8945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.6296 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1350 -1.6296 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1783 1.4913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3639 2.8894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.1296 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4030 -0.6296 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4030 -1.6296 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8446 2.2370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.1296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4725 2.2897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5926 -0.4796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2565 0.4780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6550 -0.2122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3346 -0.6046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1316 -0.6046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8867 2.3840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0885 2.3748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3583 2.7964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9672 3.4923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2191 2.3704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 2.9904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9791 2.3704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7890 1.4530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3905 0.7627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3955 2.0112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8535 4.0596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4109 3.2267 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.0096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.2496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3096 0.8854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9016 3.3025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.4396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.0096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.2496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4614 2.1746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9264 -0.0220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3249 -0.7122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -1.8196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.4396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.8196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.1804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 20 1 0 0 0 0 27 2 1 1 0 0 0 3 21 2 0 0 0 0 4 23 2 0 0 0 0 5 27 1 0 0 0 0 5 32 1 0 0 0 0 6 30 1 0 0 0 0 6 34 1 0 0 0 0 28 7 1 6 0 0 0 7 64 1 0 0 0 0 31 8 1 1 0 0 0 8 65 1 0 0 0 0 33 9 1 6 0 0 0 9 66 1 0 0 0 0 10 35 1 0 0 0 0 10 67 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 11 17 1 0 0 0 0 11 19 1 1 0 0 0 12 13 1 0 0 0 0 12 18 1 0 0 0 0 12 36 1 6 0 0 0 13 15 1 0 0 0 0 13 20 1 6 0 0 0 13 21 1 0 0 0 0 14 16 1 0 0 0 0 14 23 1 0 0 0 0 14 37 1 1 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 22 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 24 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 20 49 1 0 0 0 0 20 50 1 0 0 0 0 21 25 1 0 0 0 0 22 26 1 6 0 0 0 22 51 1 0 0 0 0 24 25 2 0 0 0 0 24 52 1 0 0 0 0 25 53 1 0 0 0 0 26 29 1 0 0 0 0 26 30 2 0 0 0 0 27 28 1 0 0 0 0 27 54 1 0 0 0 0 28 31 1 0 0 0 0 28 55 1 0 0 0 0 29 34 2 0 0 0 0 29 56 1 0 0 0 0 30 57 1 0 0 0 0 31 33 1 0 0 0 0 31 58 1 0 0 0 0 32 33 1 0 0 0 0 32 35 1 1 0 0 0 32 59 1 0 0 0 0 33 60 1 0 0 0 0 34 61 1 0 0 0 0 35 62 1 0 0 0 0 35 63 1 0 0 0 0 M END $$$$