BPNR09 -OEChem-04012114163D 55 57 0 1 0 0 0 0 0999 V2000 -4.1474 1.1541 1.1251 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0296 3.1809 -0.5480 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0564 -0.5441 -0.4448 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8845 2.2308 0.5293 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8650 1.1412 0.1977 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3974 -2.4513 2.0788 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5763 2.7705 0.1263 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3867 -1.0912 -0.1742 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.6636 -1.9931 -1.3784 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4004 -1.2605 -1.5367 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2746 -2.4810 -1.7808 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4571 1.6621 0.3716 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2231 1.0708 -0.2747 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5639 0.5761 0.2066 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2599 1.5240 -0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8508 2.0733 -0.0357 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6450 -0.1776 0.8090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6488 3.1657 -1.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2979 4.0093 0.9888 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9702 0.4948 -0.8874 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6881 -1.2121 0.4615 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8043 -0.8946 -0.3321 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3926 -1.8516 1.0855 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5425 -2.5183 0.9505 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7377 -1.8910 -0.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4840 -3.5000 0.6421 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5794 -3.1871 -0.1588 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1122 -0.2724 -0.1134 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0826 -1.3958 -2.1982 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3543 -2.8164 -1.1708 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3745 -1.5296 -1.2718 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3843 -0.6013 -2.4114 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9636 -3.3055 -1.1282 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2286 -2.8300 -2.8161 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2631 0.7857 -0.2514 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4676 1.3621 1.4265 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8578 1.9715 1.5159 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3326 1.3011 -1.3377 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5487 0.2255 -0.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3282 2.5129 -0.4814 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7316 1.5945 0.9711 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6453 -0.0199 1.8942 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6653 -0.5661 0.5194 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5124 2.3133 -2.0311 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6125 3.6347 -1.5947 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1020 3.9146 -1.6281 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1891 3.7403 2.0462 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1274 4.7245 0.9188 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6018 4.5553 0.6939 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0331 0.7549 -0.9514 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5547 0.5114 -1.9025 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6893 -2.7778 1.5726 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5946 -1.6612 -1.2763 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3606 -4.5093 1.0238 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3097 -3.9527 -0.4038 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 2 0 0 0 0 2 16 2 0 0 0 0 3 8 1 0 0 0 0 3 10 1 0 0 0 0 3 14 1 0 0 0 0 4 7 1 0 0 0 0 4 13 1 0 0 0 0 4 37 1 0 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 6 23 3 0 0 0 0 7 12 1 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 8 9 1 0 0 0 0 8 23 1 0 0 0 0 8 28 1 0 0 0 0 9 11 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 11 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 16 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 15 20 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 17 21 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 20 22 1 0 0 0 0 20 50 1 0 0 0 0 20 51 1 0 0 0 0 21 22 1 0 0 0 0 21 24 2 0 0 0 0 22 25 2 0 0 0 0 24 26 1 0 0 0 0 24 52 1 0 0 0 0 25 27 1 0 0 0 0 25 53 1 0 0 0 0 26 27 2 0 0 0 0 26 54 1 0 0 0 0 27 55 1 0 0 0 0 M END $$$$