@MOLECULE (1z,3s)-3-{[(benzyloxy)carbonyl]amino}-1-diazonio-4-phenyl-1-buten-2-olate 41 42 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 1.4060 -0.4651 0.2441 O.3 1 UNL1 -0.4190 2 O -2.8594 -2.0033 -1.4127 O.2 1 UNL1 -0.4705 3 O -0.0545 0.3524 1.7953 O.2 1 UNL1 -0.5532 4 N -0.7859 -0.6523 -0.1574 N.am 1 UNL1 -0.5793 5 N -4.9407 -2.7099 0.2731 N.3 1 UNL1 0.3893 6 N -5.6245 -3.5824 0.0570 N.3 1 UNL1 -0.1110 7 C -2.1664 -0.2040 0.0035 C.3 1 UNL1 0.0226 8 C -2.5175 0.9744 -0.9374 C.3 1 UNL1 -0.3242 9 C -1.7061 2.1791 -0.5740 C.ar 1 UNL1 0.0131 10 C -3.0601 -1.3908 -0.3901 C.2 1 UNL1 0.4910 11 C -0.5474 2.4863 -1.2899 C.ar 1 UNL1 -0.1710 12 C -2.0902 2.9803 0.5038 C.ar 1 UNL1 -0.1621 13 C 0.1599 -0.1842 0.7315 C.2 1 UNL1 0.7189 14 C 0.2305 3.5812 -0.9195 C.ar 1 UNL1 -0.1395 15 C -1.3112 4.0751 0.8697 C.ar 1 UNL1 -0.1345 16 C 2.4829 0.0207 1.0661 C.3 1 UNL1 -0.0188 17 C -0.1488 4.3754 0.1608 C.ar 1 UNL1 -0.1584 18 C 3.6942 -0.6104 0.4528 C.ar 1 UNL1 -0.0343 19 C -4.1496 -1.7075 0.5169 C.3 1 UNL1 -0.5309 20 C 3.9219 -1.9755 0.6345 C.ar 1 UNL1 -0.1283 21 C 4.5761 0.1531 -0.3121 C.ar 1 UNL1 -0.1393 22 C 5.0404 -2.5741 0.0593 C.ar 1 UNL1 -0.1535 23 C 5.6949 -0.4490 -0.8842 C.ar 1 UNL1 -0.1555 24 C 5.9274 -1.8110 -0.6987 C.ar 1 UNL1 -0.1405 25 H -2.3316 0.1034 1.0741 H 1 UNL1 0.1867 26 H -2.3477 0.6776 -1.9946 H 1 UNL1 0.1713 27 H -3.6023 1.1961 -0.8705 H 1 UNL1 0.1625 28 H -0.5157 -1.0229 -1.0618 H 1 UNL1 0.3381 29 H -0.2445 1.8677 -2.1323 H 1 UNL1 0.1549 30 H -2.9899 2.7433 1.0671 H 1 UNL1 0.1503 31 H 1.1377 3.8136 -1.4741 H 1 UNL1 0.1496 32 H -1.6062 4.6922 1.7162 H 1 UNL1 0.1476 33 H 2.4743 1.1250 1.0147 H 1 UNL1 0.1424 34 H 2.3178 -0.2880 2.1171 H 1 UNL1 0.1538 35 H 0.4607 5.2278 0.4525 H 1 UNL1 0.1494 36 H -4.2859 -1.1153 1.4207 H 1 UNL1 0.2235 37 H 3.2197 -2.5702 1.2177 H 1 UNL1 0.1586 38 H 4.3902 1.2143 -0.4676 H 1 UNL1 0.1535 39 H 5.2204 -3.6380 0.1991 H 1 UNL1 0.1503 40 H 6.3850 0.1440 -1.4804 H 1 UNL1 0.1483 41 H 6.7995 -2.2797 -1.1497 H 1 UNL1 0.1483 @BOND 1 29 11 1 2 26 8 1 3 40 23 1 4 31 14 1 5 2 10 2 6 11 14 ar 7 11 9 ar 8 41 24 1 9 28 4 1 10 8 27 1 11 8 9 1 12 8 7 1 13 14 17 ar 14 23 24 ar 15 23 21 ar 16 24 22 ar 17 9 12 ar 18 38 21 1 19 10 7 1 20 10 19 1 21 21 18 ar 22 4 7 1 23 4 13 am 24 7 25 1 25 6 5 1 26 22 39 1 27 22 20 ar 28 17 35 1 29 17 15 ar 30 1 13 1 31 1 16 1 32 5 19 1 33 18 20 ar 34 18 16 1 35 12 15 ar 36 12 30 1 37 19 36 1 38 20 37 1 39 13 3 2 40 15 32 1 41 33 16 1 42 16 34 1