@MOLECULE n-{[1-(2-nitrophenyl)ethoxy]carbonyl}-l-serine 35 35 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 N -2.2875 1.6294 -0.3163 N.pl3 1 UNL1 0.6325 2 C 1.0397 0.1533 -0.3108 C.2 1 UNL1 0.7460 3 C -2.9960 0.3574 -0.1369 C.ar 1 UNL1 -0.0320 4 C -2.3806 -0.7796 0.3876 C.ar 1 UNL1 -0.0074 5 CA 3.3151 -0.7540 0.0704 C.3 1 UNL1 -0.0723 6 N 1.8746 -0.7476 0.3284 N.am 1 UNL1 -0.6153 7 C 4.0188 0.4362 0.7567 C.2 1 UNL1 0.6007 8 C -0.9180 -0.8506 0.7595 C.3 1 UNL1 0.1517 9 O -0.3007 -0.0426 -0.2490 O.3 1 UNL1 -0.4151 10 O -2.3460 2.1496 -1.4138 O.2 1 UNL1 -0.3665 11 O -1.7484 2.1222 0.6575 O.2 1 UNL1 -0.3921 12 O 1.4371 1.1060 -0.9552 O.2 1 UNL1 -0.5169 13 O 4.8729 0.2725 1.5850 O.2 1 UNL1 -0.4489 14 O 3.7084 1.6702 0.3431 O.3 1 UNL1 -0.5218 15 C 3.6869 -0.7813 -1.4310 C.3 1 UNL1 -0.0309 16 C -3.1498 -1.9347 0.5619 C.ar 1 UNL1 -0.1666 17 C -4.3424 0.3448 -0.5162 C.ar 1 UNL1 -0.1103 18 O 3.7833 -2.1243 -1.8408 O.3 1 UNL1 -0.5330 19 C -0.6663 -0.2971 2.1505 C.3 1 UNL1 -0.5045 20 C -4.4970 -1.9476 0.2139 C.ar 1 UNL1 -0.1105 21 C -5.0929 -0.8111 -0.3336 C.ar 1 UNL1 -0.1434 22 HA 3.7309 -1.6928 0.5460 H 1 UNL1 0.1832 23 H 1.5058 -1.5924 0.7412 H 1 UNL1 0.3194 24 H -0.5358 -1.8929 0.6418 H 1 UNL1 0.1276 25 H 2.8826 1.7110 -0.2320 H 1 UNL1 0.3858 26 H1 4.6256 -0.2364 -1.6366 H 1 UNL1 0.1398 27 H2 2.8859 -0.3709 -2.0823 H 1 UNL1 0.1811 28 H -2.6928 -2.8357 0.9716 H 1 UNL1 0.1606 29 H -4.7973 1.2371 -0.9569 H 1 UNL1 0.1825 30 H 4.6609 -2.5002 -1.6252 H 1 UNL1 0.3149 31 H -0.8465 0.7940 2.1875 H 1 UNL1 0.2049 32 H 0.3624 -0.4519 2.4951 H 1 UNL1 0.1663 33 H -1.3379 -0.7467 2.8930 H 1 UNL1 0.1676 34 H -5.0872 -2.8527 0.3613 H 1 UNL1 0.1579 35 H -6.1442 -0.8304 -0.6216 H 1 UNL1 0.1651 @BOND 1 27 15 1 2 18 30 1 3 18 15 1 4 26 15 1 5 15 5 1 6 10 1 2 7 29 17 1 8 12 2 2 9 35 21 1 10 17 21 ar 11 17 3 ar 12 21 20 ar 13 1 3 1 14 1 11 2 15 2 9 1 16 2 6 am 17 9 8 1 18 25 14 1 19 3 4 ar 20 5 6 1 21 5 22 1 22 5 7 1 23 20 34 1 24 20 16 ar 25 6 23 1 26 14 7 1 27 4 16 ar 28 4 8 1 29 16 28 1 30 24 8 1 31 7 13 2 32 8 19 1 33 19 31 1 34 19 32 1 35 19 33 1