@MOLECULE zd6126 54 56 0 0 0 SMALL GASTEIGER @ATOM 1 P -5.2392 -0.4501 -0.0693 P.3 1 UNL1111111111 0.3800 2 O 1.6157 -2.0350 -0.7861 O.3 1 UNL1111111111 -0.3440 3 O 4.3567 -1.6234 -1.0161 O.3 1 UNL1111111111 -0.3141 4 O -4.1186 -0.7919 1.0448 O.3 1 UNL1111111111 -0.3179 5 O 5.5440 0.3779 0.7209 O.3 1 UNL1111111111 -0.2969 6 O -0.9868 2.5787 -2.1797 O.2 1 UNL1111111111 -0.5484 7 O -6.1104 -1.7691 -0.0033 O.3 1 UNL1111111111 -0.2443 8 O -4.4873 -0.6112 -1.4660 O.3 1 UNL1111111111 -0.3992 9 O -5.9940 0.7490 0.2148 O.2 1 UNL1111111111 -0.2102 10 N 0.6796 2.2063 -0.6911 N.am 1 UNL1111111111 -0.6209 11 C -0.2336 2.1731 0.4628 C.3 1 UNL1111111111 0.0920 12 C 0.5172 2.6674 1.7244 C.3 1 UNL1111111111 -0.2878 13 C 1.2622 1.5728 2.5048 C.3 1 UNL1111111111 -0.2746 14 C -0.8211 0.7889 0.6668 C.ar 1 UNL1111111111 0.0091 15 C 2.0880 0.7114 1.6008 C.ar 1 UNL1111111111 0.0674 16 C -0.0143 -0.3487 0.8020 C.ar 1 UNL1111111111 -0.0572 17 C 1.4426 -0.2346 0.7854 C.ar 1 UNL1111111111 -0.1489 18 C -2.2077 0.6702 0.7056 C.ar 1 UNL1111111111 -0.2775 19 C 2.2135 -1.0362 -0.0582 C.ar 1 UNL1111111111 0.1845 20 C 3.4660 0.8601 1.5458 C.ar 1 UNL1111111111 -0.2936 21 C -0.6039 -1.6077 0.9645 C.ar 1 UNL1111111111 -0.0852 22 C 3.6076 -0.9080 -0.1197 C.ar 1 UNL1111111111 -0.0177 23 C 4.2311 0.0559 0.6837 C.ar 1 UNL1111111111 0.2164 24 C -2.7785 -0.5988 0.8521 C.ar 1 UNL1111111111 0.3026 25 C -1.9839 -1.7476 0.9808 C.ar 1 UNL1111111111 -0.2588 26 C 0.1888 2.3559 -1.9745 C.2 1 UNL1111111111 0.6117 27 C 1.2242 2.2764 -3.0650 C.3 1 UNL1111111111 -0.5302 28 C 1.0704 -1.5621 -2.0176 C.3 1 UNL1111111111 -0.1939 29 C 4.3417 -3.0293 -0.7596 C.3 1 UNL1111111111 -0.2044 30 C 6.4472 -0.3674 -0.0857 C.3 1 UNL1111111111 -0.1901 31 H -1.0693 2.9023 0.2385 H 1 UNL1111111111 0.1685 32 H -0.2146 3.1508 2.4010 H 1 UNL1111111111 0.1490 33 H 1.2273 3.4663 1.4312 H 1 UNL1111111111 0.1559 34 H 0.5302 0.9398 3.0557 H 1 UNL1111111111 0.1668 35 H 1.8876 2.0427 3.2912 H 1 UNL1111111111 0.1508 36 H 1.6269 1.9013 -0.5235 H 1 UNL1111111111 0.3188 37 H -2.8302 1.5616 0.6284 H 1 UNL1111111111 0.1804 38 H 3.9769 1.5961 2.1646 H 1 UNL1111111111 0.1828 39 H 0.0357 -2.4861 1.0698 H 1 UNL1111111111 0.1637 40 H -2.4473 -2.7222 1.0991 H 1 UNL1111111111 0.1671 41 H 1.7958 1.3405 -3.0328 H 1 UNL1111111111 0.1700 42 H 0.7385 2.3363 -4.0518 H 1 UNL1111111111 0.1852 43 H 1.9366 3.1107 -3.0020 H 1 UNL1111111111 0.1768 44 H 0.6078 -2.4652 -2.4346 H 1 UNL1111111111 0.1502 45 H 1.8703 -1.1961 -2.6687 H 1 UNL1111111111 0.1319 46 H 0.3121 -0.7920 -1.8379 H 1 UNL1111111111 0.1420 47 H 5.0707 -3.4098 -1.4834 H 1 UNL1111111111 0.1395 48 H 3.3470 -3.4446 -0.9588 H 1 UNL1111111111 0.1520 49 H 4.6522 -3.2461 0.2655 H 1 UNL1111111111 0.1283 50 H 6.4556 -1.4211 0.2076 H 1 UNL1111111111 0.1379 51 H 6.2028 -0.2570 -1.1479 H 1 UNL1111111111 0.1455 52 H 7.4067 0.1127 0.1468 H 1 UNL1111111111 0.1437 53 H -3.9871 0.2546 -1.6915 H 1 UNL1111111111 0.3381 54 H -5.5029 -2.5781 -0.2114 H 1 UNL1111111111 0.3070 @BOND 1 1 4 1 2 1 7 1 3 1 8 1 4 1 9 2 5 2 19 1 6 2 28 1 7 3 22 1 8 3 29 1 9 4 24 1 10 5 23 1 11 5 30 1 12 6 26 2 13 7 54 1 14 8 53 1 15 10 11 1 16 10 26 am 17 10 36 1 18 11 12 1 19 11 14 1 20 11 31 1 21 12 13 1 22 12 32 1 23 12 33 1 24 13 15 1 25 13 34 1 26 13 35 1 27 14 16 ar 28 14 18 ar 29 15 17 ar 30 15 20 ar 31 16 17 1 32 16 21 ar 33 17 19 ar 34 18 24 ar 35 18 37 1 36 19 22 ar 37 20 23 ar 38 20 38 1 39 21 25 ar 40 21 39 1 41 22 23 ar 42 24 25 ar 43 25 40 1 44 26 27 1 45 27 41 1 46 27 42 1 47 27 43 1 48 28 44 1 49 28 45 1 50 28 46 1 51 29 47 1 52 29 48 1 53 29 49 1 54 30 50 1 55 30 51 1 56 30 52 1