BL4V8R -OEChem-04022100162D 67 69 0 1 0 0 0 0 0999 V2000 10.8220 -1.2624 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 13.0149 0.0036 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.6483 -2.2472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9957 -0.2776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9546 -0.3384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0752 0.3457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4049 -2.9361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3830 3.7624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9132 -0.2205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2400 -1.3339 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6124 -1.9263 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.8068 -1.4361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6729 -0.9361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8372 -1.0888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8828 -0.5678 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8676 -0.7415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4952 -0.1491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1944 -1.8548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8068 -2.4361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5104 0.0246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2096 -1.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5389 -1.4361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3569 0.9433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5408 0.3719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5389 -2.4361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6729 -2.9361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3417 1.1170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7141 1.7094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2552 -1.1602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6837 2.0567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0561 2.6491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0409 2.8227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6276 -1.7526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9848 -2.5186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4049 -3.9361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3678 3.9361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0948 -1.1504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8937 0.3259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4065 -2.4374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2699 -2.7461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2983 0.6072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8111 -2.1561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0758 -1.1261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1234 0.5839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3287 0.9545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9582 0.1598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6729 -3.5561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4520 -1.9165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7402 0.6420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1035 1.6017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2943 2.1643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6576 3.1240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8245 -2.5089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8396 -1.1700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0907 -1.4426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7728 -3.1013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5217 -2.8286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7849 -3.9361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4049 -4.5561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0249 -3.9361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1077 -1.7344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 -2.2373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8923 -2.9556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4754 3.3255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9783 4.0437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2601 4.5466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 12 1 0 0 0 0 1 14 1 0 0 0 0 2 5 2 0 0 0 0 2 6 2 0 0 0 0 2 13 1 0 0 0 0 2 23 1 0 0 0 0 7 25 1 0 0 0 0 7 35 1 0 0 0 0 8 32 1 0 0 0 0 8 37 1 0 0 0 0 9 29 2 0 0 0 0 15 10 1 1 0 0 0 10 29 1 0 0 0 0 10 49 1 0 0 0 0 11 29 1 0 0 0 0 11 33 1 0 0 0 0 11 54 1 0 0 0 0 12 13 2 0 0 0 0 12 19 1 0 0 0 0 13 22 1 0 0 0 0 14 17 2 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 15 24 1 0 0 0 0 15 38 1 0 0 0 0 16 20 2 0 0 0 0 16 21 1 0 0 0 0 17 20 1 0 0 0 0 17 39 1 0 0 0 0 18 21 2 0 0 0 0 18 40 1 0 0 0 0 19 26 2 0 0 0 0 19 41 1 0 0 0 0 20 42 1 0 0 0 0 21 43 1 0 0 0 0 22 25 2 0 0 0 0 22 44 1 0 0 0 0 23 27 2 0 0 0 0 23 28 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 25 26 1 0 0 0 0 26 48 1 0 0 0 0 27 30 1 0 0 0 0 27 50 1 0 0 0 0 28 31 2 0 0 0 0 28 51 1 0 0 0 0 30 32 2 0 0 0 0 30 52 1 0 0 0 0 31 32 1 0 0 0 0 31 53 1 0 0 0 0 33 34 1 0 0 0 0 33 55 1 0 0 0 0 33 56 1 0 0 0 0 34 36 1 0 0 0 0 34 57 1 0 0 0 0 34 58 1 0 0 0 0 35 59 1 0 0 0 0 35 60 1 0 0 0 0 35 61 1 0 0 0 0 36 62 1 0 0 0 0 36 63 1 0 0 0 0 36 64 1 0 0 0 0 37 65 1 0 0 0 0 37 66 1 0 0 0 0 37 67 1 0 0 0 0 M END $$$$