@MOLECULE 1,1',1''-phosphoryltriazepane 59 61 0 0 0 SMALL GASTEIGER @ATOM 1 P 0.0502 -0.0392 -0.4550 P.3 1 UNL1111111111 0.1300 2 O -0.0753 -0.5128 -1.8513 O.2 1 UNL1111111111 -0.3221 3 N -1.1660 1.1438 -0.1217 N.3 1 UNL1111111111 -0.3708 4 N 1.6718 0.5216 -0.1717 N.3 1 UNL1111111111 -0.3254 5 N -0.1769 -1.1706 0.8471 N.3 1 UNL1111111111 -0.2869 6 C -1.1091 1.9975 1.1057 C.3 1 UNL1111111111 -0.0508 7 C -1.6964 1.9359 -1.2811 C.3 1 UNL1111111111 -0.0380 8 C 2.1440 0.8195 1.2221 C.3 1 UNL1111111111 -0.0668 9 C 2.1023 1.5866 -1.1522 C.3 1 UNL1111111111 -0.0611 10 C 0.7183 -2.3795 0.8602 C.3 1 UNL1111111111 -0.0523 11 C -1.5873 -1.5690 1.1854 C.3 1 UNL1111111111 -0.0599 12 C -2.5066 2.0584 1.7693 C.3 1 UNL1111111111 -0.2835 13 C -3.1921 1.6012 -1.4955 C.3 1 UNL1111111111 -0.2790 14 C 3.4300 -0.0072 1.4710 C.3 1 UNL1111111111 -0.2740 15 C 3.5809 1.9969 -0.9677 C.3 1 UNL1111111111 -0.2880 16 C 0.8001 -3.3580 -0.3314 C.3 1 UNL1111111111 -0.2943 17 C -2.3746 -2.4961 0.2408 C.3 1 UNL1111111111 -0.3030 18 C -3.6133 2.5732 0.8413 C.3 1 UNL1111111111 -0.2569 19 C -4.0094 1.5169 -0.2010 C.3 1 UNL1111111111 -0.2459 20 C 4.6805 0.6154 0.8453 C.3 1 UNL1111111111 -0.2653 21 C 4.5118 0.8178 -0.6665 C.3 1 UNL1111111111 -0.2496 22 C -0.5359 -3.7478 -0.9729 C.3 1 UNL1111111111 -0.2581 23 C -1.6958 -3.8528 0.0235 C.3 1 UNL1111111111 -0.2576 24 H -0.7698 3.0318 0.8681 H 1 UNL1111111111 0.1078 25 H -0.3987 1.6057 1.8710 H 1 UNL1111111111 0.1320 26 H -1.1662 1.7506 -2.2469 H 1 UNL1111111111 0.1420 27 H -1.5844 3.0266 -1.0839 H 1 UNL1111111111 0.1092 28 H 1.4093 0.5407 2.0138 H 1 UNL1111111111 0.1375 29 H 2.3493 1.9009 1.3647 H 1 UNL1111111111 0.1149 30 H 1.4898 2.5176 -1.1055 H 1 UNL1111111111 0.1063 31 H 1.9963 1.1658 -2.1876 H 1 UNL1111111111 0.1602 32 H 0.4020 -2.9554 1.7655 H 1 UNL1111111111 0.1228 33 H 1.7584 -2.0218 1.0794 H 1 UNL1111111111 0.1382 34 H -2.1996 -0.6484 1.3630 H 1 UNL1111111111 0.1493 35 H -1.4952 -2.0647 2.1847 H 1 UNL1111111111 0.1229 36 H -2.4366 2.7065 2.6625 H 1 UNL1111111111 0.1230 37 H -2.7757 1.0516 2.1437 H 1 UNL1111111111 0.1428 38 H -3.2699 0.6334 -2.0307 H 1 UNL1111111111 0.1470 39 H -3.6233 2.3640 -2.1688 H 1 UNL1111111111 0.1233 40 H 3.2893 -1.0296 1.0607 H 1 UNL1111111111 0.1544 41 H 3.5729 -0.1272 2.5596 H 1 UNL1111111111 0.1221 42 H 3.6674 2.7615 -0.1747 H 1 UNL1111111111 0.1311 43 H 3.9078 2.5001 -1.8987 H 1 UNL1111111111 0.1305 44 H 1.3188 -4.2695 0.0237 H 1 UNL1111111111 0.1217 45 H 1.4580 -2.9333 -1.1196 H 1 UNL1111111111 0.1558 46 H -2.5458 -2.0002 -0.7362 H 1 UNL1111111111 0.1622 47 H -3.3846 -2.6470 0.6670 H 1 UNL1111111111 0.1255 48 H -3.2991 3.5078 0.3448 H 1 UNL1111111111 0.1325 49 H -4.4986 2.8416 1.4481 H 1 UNL1111111111 0.1191 50 H -3.8833 0.5048 0.2352 H 1 UNL1111111111 0.1458 51 H -5.0831 1.6114 -0.4417 H 1 UNL1111111111 0.1168 52 H 5.5509 -0.0405 1.0365 H 1 UNL1111111111 0.1229 53 H 4.9188 1.5762 1.3359 H 1 UNL1111111111 0.1244 54 H 5.4986 0.9865 -1.1328 H 1 UNL1111111111 0.1176 55 H 4.1059 -0.1078 -1.1258 H 1 UNL1111111111 0.1639 56 H -0.4105 -4.7106 -1.5031 H 1 UNL1111111111 0.1182 57 H -0.7937 -3.0147 -1.7682 H 1 UNL1111111111 0.1659 58 H -2.4431 -4.5733 -0.3610 H 1 UNL1111111111 0.1213 59 H -1.3460 -4.2704 0.9836 H 1 UNL1111111111 0.1285 @BOND 1 1 2 2 2 1 3 1 3 1 4 1 4 1 5 1 5 3 6 1 6 3 7 1 7 4 8 1 8 4 9 1 9 5 10 1 10 5 11 1 11 6 12 1 12 6 24 1 13 6 25 1 14 7 13 1 15 7 26 1 16 7 27 1 17 8 14 1 18 8 28 1 19 8 29 1 20 9 15 1 21 9 30 1 22 9 31 1 23 10 16 1 24 10 32 1 25 10 33 1 26 11 17 1 27 11 34 1 28 11 35 1 29 12 18 1 30 12 36 1 31 12 37 1 32 13 19 1 33 13 38 1 34 13 39 1 35 14 20 1 36 14 40 1 37 14 41 1 38 15 21 1 39 15 42 1 40 15 43 1 41 16 22 1 42 16 44 1 43 16 45 1 44 17 23 1 45 17 46 1 46 17 47 1 47 18 19 1 48 18 48 1 49 18 49 1 50 19 50 1 51 19 51 1 52 20 21 1 53 20 52 1 54 20 53 1 55 21 54 1 56 21 55 1 57 22 23 1 58 22 56 1 59 22 57 1 60 23 58 1 61 23 59 1