TITL 04src0621 in P2(1) OpenBabel10140914463D 51 52 0 0 0 0 0 0 0 0999 V2000 3.2812 5.1374 11.6586 C 0 0 0 0 0 3.2630 5.5947 12.5252 H 0 0 0 0 0 2.4125 4.7147 11.4940 H 0 0 0 0 0 3.4675 5.7880 10.9498 H 0 0 0 0 0 6.4952 0.5200 12.2589 C 0 0 0 0 0 6.9863 0.1385 11.5015 H 0 0 0 0 0 5.7659 -0.0835 12.5126 H 0 0 0 0 0 7.1037 0.6345 13.0185 H 0 0 0 0 0 5.1429 4.0266 12.7284 C 0 0 0 0 0 6.2306 2.9843 12.7335 C 0 0 0 0 0 6.3145 2.6452 13.6704 H 0 0 0 0 0 5.0464 1.8608 10.8785 C 0 0 0 0 0 4.3157 3.1510 10.5687 C 0 0 0 0 0 3.3569 2.8930 10.4501 H 0 0 0 0 0 7.5675 3.6938 12.3756 C 0 0 0 0 0 7.5690 3.8862 11.4045 H 0 0 0 0 0 7.5974 4.5620 12.8504 H 0 0 0 0 0 8.8177 2.9266 12.7095 C 0 0 0 0 0 9.4938 3.1565 13.9152 C 0 0 0 0 0 9.1594 3.8026 14.5261 H 0 0 0 0 0 10.6514 2.4469 14.2267 C 0 0 0 0 0 11.1114 2.6285 15.0379 H 0 0 0 0 0 11.1375 1.4783 13.3633 C 0 0 0 0 0 10.4749 1.2444 12.1572 C 0 0 0 0 0 10.7979 0.5829 11.5567 H 0 0 0 0 0 9.3452 1.9797 11.8387 C 0 0 0 0 0 8.9190 1.8331 11.0024 H 0 0 0 0 0 4.7574 3.7391 9.2055 C 0 0 0 0 0 4.5408 3.0804 8.4990 H 0 0 0 0 0 4.2181 4.5504 9.0287 H 0 0 0 0 0 6.2163 4.1048 9.0793 C 0 0 0 0 0 6.6525 5.4052 9.2787 C 0 0 0 0 0 6.0213 6.0742 9.5165 H 0 0 0 0 0 7.9968 5.7563 9.1384 C 0 0 0 0 0 8.2768 6.6523 9.2844 H 0 0 0 0 0 8.9205 4.7814 8.7832 C 0 0 0 0 0 8.5008 3.4651 8.5839 C 0 0 0 0 0 9.1327 2.7965 8.3468 H 0 0 0 0 0 7.1698 3.1336 8.7306 C 0 0 0 0 0 6.8936 2.2350 8.5938 H 0 0 0 0 0 4.3276 4.1141 11.6689 N 0 0 0 0 0 5.9380 1.8294 11.8738 N 0 0 0 0 0 5.0697 4.8203 13.6862 O 0 0 0 0 0 4.7895 0.8565 10.1962 O 0 0 0 0 0 12.2392 0.7308 13.6388 O 0 0 0 0 0 12.4941 0.8865 14.4239 H 0 0 0 0 0 10.2571 5.0626 8.5854 O 0 0 0 0 0 10.3966 5.8777 8.7330 H 0 0 0 0 0 11.0388 3.9827 6.0879 O 0 0 0 0 0 10.9179 4.1734 6.8901 H 0 0 0 0 0 10.3140 4.1383 5.6779 H 0 0 0 0 0 4 1 1 0 0 0 3 1 1 0 0 0 1 41 1 0 0 0 1 2 1 0 0 0 6 5 1 0 0 0 42 5 1 0 0 0 5 7 1 0 0 0 5 8 1 0 0 0 41 9 1 0 0 0 9 10 1 0 0 0 9 43 2 0 0 0 42 10 1 0 0 0 15 10 1 0 0 0 10 11 1 0 0 0 44 12 2 0 0 0 13 12 1 0 0 0 12 42 1 0 0 0 28 13 1 0 0 0 14 13 1 0 0 0 13 41 1 0 0 0 16 15 1 0 0 0 15 18 1 0 0 0 15 17 1 0 0 0 26 18 2 0 0 0 18 19 1 0 0 0 19 21 2 0 0 0 19 20 1 0 0 0 23 21 1 0 0 0 21 22 1 0 0 0 24 23 2 0 0 0 23 45 1 0 0 0 25 24 1 0 0 0 26 24 1 0 0 0 27 26 1 0 0 0 29 28 1 0 0 0 30 28 1 0 0 0 31 28 1 0 0 0 39 31 2 0 0 0 31 32 1 0 0 0 34 32 2 0 0 0 32 33 1 0 0 0 36 34 1 0 0 0 34 35 1 0 0 0 37 36 2 0 0 0 47 36 1 0 0 0 38 37 1 0 0 0 37 39 1 0 0 0 40 39 1 0 0 0 45 46 1 0 0 0 47 48 1 0 0 0 51 49 1 0 0 0 49 50 1 0 0 0 M END