@MOLECULE [4-(4-amino-6,7-dimethoxy-quinazoline-1,3-diium-4a-id-2-yl)piperazin-1-yl]-(4-azidophenyl)methanone 54 57 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 3.9096 3.0399 -0.7560 O.2 1 UNL1 -0.5010 2 O -5.3469 -3.1552 0.4694 O.3 1 UNL1 -0.3367 3 O -7.1979 -1.1373 -0.3737 O.3 1 UNL1 -0.3306 4 N -0.0756 1.5582 0.3970 N.pl3 1 UNL1 -0.3884 5 N 2.6760 2.1146 0.9017 N.am 1 UNL1 -0.4720 6 N -1.8187 -0.0117 0.2905 N.ar 1 UNL1 -0.5924 7 N -2.1956 2.3125 -0.3028 N.ar 1 UNL1 -0.6376 8 N -4.2729 3.1326 -0.8326 N.pl3 1 UNL1 -0.5853 9 N 6.6673 -2.6968 -0.7358 N.2 1 UNL1 -0.4267 10 N 7.5349 -3.1697 0.0284 N.2 1 UNL1 0.4305 11 N 8.3373 -3.7809 0.5477 N.2 1 UNL1 -0.1693 12 C 0.8769 0.4394 0.5167 C.3 1 UNL1 -0.1081 13 C 0.5062 2.8201 -0.0945 C.3 1 UNL1 -0.1090 14 C 2.0579 0.8842 1.4121 C.3 1 UNL1 -0.0967 15 C 1.7010 3.2132 0.8084 C.3 1 UNL1 -0.0897 16 C -1.3894 1.2633 0.1008 C.ar 1 UNL1 0.5597 17 C 3.6708 2.0628 -0.0771 C.2 1 UNL1 0.5654 18 C 4.4691 0.8114 -0.1854 C.ar 1 UNL1 -0.1585 19 C -3.1494 -0.2635 0.1357 C.ar 1 UNL1 0.3142 20 C -4.0775 0.7513 -0.2357 C.ar 1 UNL1 -0.3157 21 C -3.5114 2.0596 -0.4559 C.ar 1 UNL1 0.4895 22 C -3.6072 -1.5992 0.3350 C.ar 1 UNL1 -0.2716 23 C 4.3381 0.0421 -1.3446 C.ar 1 UNL1 -0.0726 24 C 5.3606 0.4443 0.8179 C.ar 1 UNL1 -0.0645 25 C -5.4474 0.4362 -0.3602 C.ar 1 UNL1 -0.1031 26 C -4.9409 -1.8809 0.1812 C.ar 1 UNL1 0.2264 27 C -5.8720 -0.8536 -0.1556 C.ar 1 UNL1 0.0583 28 C 5.0845 -1.1172 -1.4946 C.ar 1 UNL1 -0.1811 29 C 6.1201 -0.7155 0.6820 C.ar 1 UNL1 -0.2639 30 C 5.9756 -1.4947 -0.4728 C.ar 1 UNL1 0.2036 31 C -5.9372 -3.8303 -0.6404 C.3 1 UNL1 -0.1953 32 C -7.9026 -1.4114 0.8372 C.3 1 UNL1 -0.2006 33 H 1.2366 0.1145 -0.4834 H 1 UNL1 0.1397 34 H 0.3669 -0.4439 0.9784 H 1 UNL1 0.1919 35 H -0.2638 3.6285 -0.0677 H 1 UNL1 0.1810 36 H 0.8323 2.7213 -1.1537 H 1 UNL1 0.1465 37 H 1.6930 1.0867 2.4476 H 1 UNL1 0.1634 38 H 2.8047 0.0664 1.4922 H 1 UNL1 0.1532 39 H 2.1941 4.1288 0.4061 H 1 UNL1 0.1727 40 H 1.3482 3.4527 1.8369 H 1 UNL1 0.1561 41 H -2.8858 -2.3709 0.6041 H 1 UNL1 0.1996 42 H -6.1761 1.2037 -0.6145 H 1 UNL1 0.1599 43 H 3.6544 0.3588 -2.1357 H 1 UNL1 0.1691 44 H 5.4679 1.0651 1.7104 H 1 UNL1 0.1676 45 H 4.9940 -1.7326 -2.3910 H 1 UNL1 0.1835 46 H 6.8147 -0.9980 1.4675 H 1 UNL1 0.1620 47 H -3.8359 4.0183 -1.0027 H 1 UNL1 0.3221 48 H -5.2361 3.0288 -1.0604 H 1 UNL1 0.3119 49 H -5.2069 -3.9308 -1.4496 H 1 UNL1 0.1337 50 H -6.8382 -3.3151 -0.9903 H 1 UNL1 0.1481 51 H -6.1856 -4.8098 -0.2148 H 1 UNL1 0.1455 52 H -7.8812 -0.5391 1.4967 H 1 UNL1 0.1307 53 H -7.4854 -2.2905 1.3409 H 1 UNL1 0.1433 54 H -8.9207 -1.6084 0.4839 H 1 UNL1 0.1412 @BOND 1 45 28 1 2 43 23 1 3 28 23 ar 4 28 30 ar 5 49 31 1 6 23 18 ar 7 36 13 1 8 48 8 1 9 47 8 1 10 50 31 1 11 8 21 1 12 1 17 2 13 9 30 1 14 9 10 2 15 31 51 1 16 31 2 1 17 42 25 1 18 33 12 1 19 30 29 ar 20 21 7 ar 21 21 20 ar 22 3 27 1 23 3 32 1 24 25 20 ar 25 25 27 ar 26 7 16 ar 27 20 19 ar 28 18 17 1 29 18 24 ar 30 27 26 ar 31 13 35 1 32 13 4 1 33 13 15 1 34 17 5 am 35 10 11 2 36 16 6 ar 37 16 4 1 38 19 6 ar 39 19 22 ar 40 26 22 ar 41 26 2 1 42 22 41 1 43 4 12 1 44 39 15 1 45 54 32 1 46 12 34 1 47 12 14 1 48 29 24 ar 49 29 46 1 50 15 5 1 51 15 40 1 52 24 44 1 53 32 53 1 54 32 52 1 55 5 14 1 56 14 38 1 57 14 37 1