@MOLECULE 15-methoxy-21,21-dimethyl-11,14,16,20,22,24-hexaoxa-2,4,6,9-tetraaza-15-phosphapentacyclo[16.5.1.0~2,10~.0~3,8~.0~19,23~]tetracosa-3,5,7,9-tetraen-7-amine 15-oxide 52 56 0 0 0 SMALL GASTEIGER @ATOM 1 P -3.7625 1.0000 -0.7154 P.3 1 UNL1111111111 0.2897 2 O -0.2187 -0.7806 -0.7420 O.3 1 UNL1111111111 -0.3836 3 O 1.8149 -3.1617 0.5489 O.3 1 UNL1111111111 -0.4193 4 O -0.3605 -3.8958 0.4830 O.3 1 UNL1111111111 -0.4486 5 O -2.9456 -0.3678 -0.7589 O.3 1 UNL1111111111 -0.1838 6 O -0.1430 1.1418 1.4468 O.3 1 UNL1111111111 -0.3066 7 O -3.0052 2.0574 0.2272 O.3 1 UNL1111111111 -0.3244 8 O -4.9274 0.6136 0.3195 O.3 1 UNL1111111111 -0.2176 9 O -4.0956 1.4110 -2.0678 O.2 1 UNL1111111111 -0.2283 10 N 1.6346 0.2773 0.1273 N.ar 1 UNL1111111111 -0.3964 11 N 1.8325 2.4165 0.9563 N.ar 1 UNL1111111111 -0.4320 12 N 3.8254 0.1550 -1.0389 N.ar 1 UNL1111111111 -0.4919 13 N 5.1476 2.1683 -0.8037 N.ar 1 UNL1111111111 -0.5646 14 N 4.4347 4.0525 0.3858 N.pl3 1 UNL1111111111 -0.5621 15 C 1.0329 -2.0399 0.8818 C.3 1 UNL1111111111 0.0155 16 C -0.4286 -2.5441 0.8869 C.3 1 UNL1111111111 0.0391 17 C 1.0935 -1.0110 -0.2782 C.3 1 UNL1111111111 0.2540 18 C -1.1516 -1.7071 -0.1824 C.3 1 UNL1111111111 0.0441 19 C 0.9676 -4.2011 0.0509 C.3 1 UNL1111111111 0.5026 20 C -2.3208 -0.9177 0.4234 C.3 1 UNL1111111111 -0.0805 21 C 1.0198 -4.2213 -1.4676 C.3 1 UNL1111111111 -0.5194 22 C 1.3898 -5.4903 0.7309 C.3 1 UNL1111111111 -0.4975 23 C 2.8748 0.7649 -0.2912 C.ar 1 UNL1111111111 0.2865 24 C 1.0495 1.3359 0.8691 C.ar 1 UNL1111111111 0.4451 25 C 2.9873 2.0928 0.2385 C.ar 1 UNL1111111111 -0.1795 26 C 4.1889 2.7882 -0.0514 C.ar 1 UNL1111111111 0.4583 27 C -1.0015 2.3023 1.4069 C.3 1 UNL1111111111 -0.0584 28 C -1.6361 2.4434 0.0194 C.3 1 UNL1111111111 -0.0401 29 C 4.9247 0.9089 -1.2534 C.ar 1 UNL1111111111 0.2915 30 C -5.9969 1.5378 0.6020 C.3 1 UNL1111111111 -0.1773 31 H 1.4293 -1.6665 1.8415 H 1 UNL1111111111 0.1708 32 H -0.9207 -2.5584 1.8748 H 1 UNL1111111111 0.1571 33 H 1.6964 -1.3922 -1.1522 H 1 UNL1111111111 0.1932 34 H -1.4865 -2.3233 -1.0510 H 1 UNL1111111111 0.1742 35 H -3.0485 -1.6044 0.9059 H 1 UNL1111111111 0.1381 36 H -1.9617 -0.1851 1.1713 H 1 UNL1111111111 0.1559 37 H 2.0594 -4.2522 -1.8211 H 1 UNL1111111111 0.1736 38 H 0.4932 -5.0923 -1.8731 H 1 UNL1111111111 0.1634 39 H 0.5528 -3.3268 -1.9018 H 1 UNL1111111111 0.1732 40 H 2.4214 -5.7557 0.4681 H 1 UNL1111111111 0.1681 41 H 1.3444 -5.3906 1.8244 H 1 UNL1111111111 0.1706 42 H 0.7327 -6.3211 0.4492 H 1 UNL1111111111 0.1639 43 H -0.4432 3.2024 1.7178 H 1 UNL1111111111 0.1579 44 H -1.7420 2.0376 2.1895 H 1 UNL1111111111 0.1661 45 H -1.6931 3.5057 -0.3023 H 1 UNL1111111111 0.1416 46 H -1.0553 1.8771 -0.7408 H 1 UNL1111111111 0.1661 47 H 5.7298 0.4573 -1.8587 H 1 UNL1111111111 0.1994 48 H 5.2977 4.5085 0.1673 H 1 UNL1111111111 0.3221 49 H 3.7530 4.5281 0.9430 H 1 UNL1111111111 0.3261 50 H -5.6643 2.3942 1.2038 H 1 UNL1111111111 0.1306 51 H -6.6442 0.8797 1.2086 H 1 UNL1111111111 0.1359 52 H -6.5520 1.8820 -0.2818 H 1 UNL1111111111 0.1375 @BOND 1 1 5 1 2 1 7 1 3 1 8 1 4 1 9 2 5 2 17 1 6 2 18 1 7 3 15 1 8 3 19 1 9 4 16 1 10 4 19 1 11 5 20 1 12 6 24 1 13 6 27 1 14 7 28 1 15 8 30 1 16 10 17 1 17 10 23 ar 18 10 24 ar 19 11 24 ar 20 11 25 ar 21 12 23 ar 22 12 29 ar 23 13 26 ar 24 13 29 ar 25 14 26 1 26 14 48 1 27 14 49 1 28 15 16 1 29 15 17 1 30 15 31 1 31 16 18 1 32 16 32 1 33 17 33 1 34 18 20 1 35 18 34 1 36 19 21 1 37 19 22 1 38 20 35 1 39 20 36 1 40 21 37 1 41 21 38 1 42 21 39 1 43 22 40 1 44 22 41 1 45 22 42 1 46 23 25 ar 47 25 26 ar 48 27 28 1 49 27 43 1 50 27 44 1 51 28 45 1 52 28 46 1 53 29 47 1 54 30 50 1 55 30 51 1 56 30 52 1