B4GAR1 -OEChem-04012112362D 45 46 0 1 0 0 0 0 0999 V2000 6.3745 -2.7694 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 4.5134 -0.3049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6166 -2.0649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7867 -1.9604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9623 -3.5784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1835 -2.1816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4364 1.2829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5655 -3.3572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7044 4.2829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7044 1.2829 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5704 2.7829 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2044 -1.2559 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2044 -1.2559 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8954 -0.3049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7044 0.2829 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7922 -2.0649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5704 1.7829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8384 1.7829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8384 2.7829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7044 3.2829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9568 -3.4739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0790 -1.1871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5446 -4.2829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8880 -0.5993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5920 -1.1589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8168 -1.1589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5854 0.2321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3290 -0.5570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2568 0.5644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2349 -2.3367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9631 -2.6609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.0001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3014 1.4729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1074 3.0929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3014 3.0929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5140 -3.2021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7859 -2.8779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8072 -0.6299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4830 -1.3580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0430 -4.6474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9090 -4.7845 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0462 -3.9185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2524 -1.1009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3896 -0.2349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5236 -0.0977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 1 8 2 0 0 0 0 2 13 1 0 0 0 0 2 15 1 0 0 0 0 12 3 1 1 0 0 0 3 32 1 0 0 0 0 4 16 1 0 0 0 0 5 21 1 0 0 0 0 6 22 1 0 0 0 0 7 17 2 0 0 0 0 9 20 2 0 0 0 0 15 10 1 6 0 0 0 10 17 1 0 0 0 0 10 18 1 0 0 0 0 11 17 1 0 0 0 0 11 20 1 0 0 0 0 11 34 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 25 1 0 0 0 0 13 16 1 6 0 0 0 13 26 1 0 0 0 0 14 15 1 0 0 0 0 14 27 1 0 0 0 0 14 28 1 0 0 0 0 15 29 1 0 0 0 0 16 30 1 0 0 0 0 16 31 1 0 0 0 0 18 19 2 0 0 0 0 18 33 1 0 0 0 0 19 20 1 0 0 0 0 19 35 1 0 0 0 0 21 23 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 22 24 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 M END $$$$