D04GRB 07081100512D 1 1.00000 0.00000 0 47 51 0 1 0 999 V2000 -3.6723 1.9292 0.0000 C 0 0 0 0 0 0 0 0 0 -3.6734 1.1060 0.0000 C 0 0 0 0 0 0 0 0 0 -2.9544 0.6848 0.0000 C 0 0 0 0 0 0 0 0 0 -2.2296 1.1065 0.0000 C 0 0 0 0 0 0 0 0 0 -2.2324 1.9328 0.0000 C 0 0 0 0 0 0 0 0 0 -2.9562 2.3420 0.0000 C 0 0 0 0 0 0 0 0 0 -2.9485 -0.1380 0.0000 C 0 0 0 0 0 0 0 0 0 -3.6690 -0.5456 0.0000 C 0 0 0 0 0 0 0 0 0 -3.6696 -1.3865 0.0000 C 0 0 0 0 0 0 0 0 0 -2.9546 -1.7916 0.0000 C 0 0 0 0 0 0 0 0 0 -2.2292 -1.3707 0.0000 C 0 0 0 0 0 0 0 0 0 -2.2322 -0.5437 0.0000 C 0 0 0 0 0 0 0 0 0 -1.5063 -0.1336 0.0000 N 0 0 0 0 0 0 0 0 0 -0.7826 -0.5401 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0690 -0.1217 0.0000 O 0 0 0 0 0 0 0 0 0 -0.7805 -1.3651 0.0000 O 0 0 0 0 0 0 0 0 0 0.6548 -0.5282 0.0000 C 0 0 3 0 0 0 0 0 0 0.6542 -1.3590 0.0000 C 0 0 0 0 0 0 0 0 0 1.3698 -1.7737 0.0000 C 0 0 0 0 0 0 0 0 0 2.0939 -1.3588 0.0000 N 0 0 3 0 0 0 0 0 0 2.0938 -0.5288 0.0000 C 0 0 0 0 0 0 0 0 0 1.3697 -0.1136 0.0000 C 0 0 0 0 0 0 0 0 0 2.8082 -1.7874 0.0000 C 0 0 0 0 0 0 0 0 0 3.5416 -1.3833 0.0000 C 0 0 0 0 0 0 0 0 0 4.2666 -1.7874 0.0000 C 0 0 0 0 0 0 0 0 0 4.9876 -1.3833 0.0000 C 0 0 0 0 0 0 0 0 0 5.7209 -1.7874 0.0000 C 0 0 0 0 0 0 0 0 0 6.4459 -1.3833 0.0000 C 0 0 0 0 0 0 0 0 0 7.1667 -1.7915 0.0000 C 0 0 0 0 0 0 0 0 0 7.9001 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 8.6209 -1.7999 0.0000 C 0 0 0 0 0 0 0 0 0 9.3374 -1.3792 0.0000 N 0 0 0 0 0 0 0 0 0 10.0585 -1.7918 0.0000 C 0 0 0 0 0 0 0 0 0 10.7750 -1.3708 0.0000 C 0 0 2 0 0 0 0 0 0 10.7702 -0.5458 0.0000 O 0 0 0 0 0 0 0 0 0 11.5002 -1.7833 0.0000 C 0 0 0 0 0 0 0 0 0 12.9560 -2.6093 0.0000 C 0 0 0 0 0 0 0 0 0 12.9401 -1.7676 0.0000 C 0 0 0 0 0 0 0 0 0 12.2279 -1.3588 0.0000 C 0 0 0 0 0 0 0 0 0 12.2264 -3.0385 0.0000 C 0 0 0 0 0 0 0 0 0 11.5006 -2.6313 0.0000 C 0 0 0 0 0 0 0 0 0 10.7892 -3.0411 0.0000 C 0 0 0 0 0 0 0 0 0 10.7900 -3.8746 0.0000 C 0 0 0 0 0 0 0 0 0 11.5330 -4.2801 0.0000 C 0 0 0 0 0 0 0 0 0 12.2289 -3.8637 0.0000 N 0 0 0 0 0 0 0 0 0 11.5328 -5.1051 0.0000 O 0 0 0 0 0 0 0 0 0 13.6734 -3.0209 0.0000 O 0 0 0 0 0 0 0 0 0 38 39 2 0 0 0 39 36 1 0 0 0 8 9 1 0 0 0 1 2 2 0 0 0 40 41 1 0 0 0 9 10 2 0 0 0 41 42 1 0 0 0 4 5 1 0 0 0 42 43 2 0 0 0 17 22 1 0 0 0 43 44 1 0 0 0 18 19 1 0 0 0 44 45 1 0 0 0 45 40 1 0 0 0 19 20 1 0 0 0 44 46 2 0 0 0 20 21 1 0 0 0 37 47 1 0 0 0 21 22 1 0 0 0 10 11 1 0 0 0 20 23 1 0 0 0 23 24 1 0 0 0 11 12 2 0 0 0 24 25 1 0 0 0 12 7 1 0 0 0 25 26 1 0 0 0 3 7 1 0 0 0 26 27 1 0 0 0 5 6 2 0 0 0 27 28 1 0 0 0 12 13 1 0 0 0 28 29 1 0 0 0 6 1 1 0 0 0 29 30 1 0 0 0 13 14 1 0 0 0 30 31 1 0 0 0 2 3 1 0 0 0 31 32 1 0 0 0 14 15 1 0 0 0 32 33 1 0 0 0 33 34 1 0 0 0 14 16 2 0 0 0 34 35 1 6 0 0 7 8 2 0 0 0 34 36 1 0 0 0 36 41 2 0 0 0 15 17 1 0 0 0 40 37 2 0 0 0 17 18 1 0 0 0 37 38 1 0 0 0 3 4 2 0 0 0 M END $$$$