@MOLECULE glycyl-4-azido-2-nitro-l-phenylalanine 34 34 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -4.2584 -0.7271 -1.1696 O.3 2 UNK2 -0.5885 2 O -4.6892 0.8600 0.3395 O.2 2 UNK2 -0.4477 3 O -0.3858 -0.8618 1.6449 O.2 1 GLY1 -0.5346 4 O 0.9668 2.7652 1.5369 O.2 2 UNK2 -0.3791 5 O -1.0242 2.5821 0.7582 O.2 2 UNK2 -0.4049 6 N -1.9819 -1.3266 0.1112 N.am 2 UNK2 -0.6086 7 N 0.1527 2.2624 0.7817 N.pl3 2 UNK2 0.6353 8 N 3.8877 -0.3893 -1.0240 N.2 2 UNK2 -0.4227 9 N 0.9166 -3.2669 1.3940 N.3 1 GLY1 -0.5884 10 N 4.7087 -0.0941 -0.1250 N.2 2 UNK2 0.4298 11 N 5.6113 0.1096 0.5290 N.2 2 UNK2 -0.1449 12 C -1.6885 0.8163 -1.1445 C.3 2 UNK2 -0.3140 13 C -2.3831 0.0765 0.0285 C.3 2 UNK2 0.0441 14 C -0.2085 0.6178 -1.0787 C.ar 2 UNK2 0.0499 15 C 0.6329 1.2495 -0.1577 C.ar 2 UNK2 -0.0265 16 C 0.3660 -0.2995 -1.9764 C.ar 2 UNK2 -0.1598 17 C -3.8877 0.1520 -0.1964 C.2 2 UNK2 0.6011 18 C 1.9968 0.9385 -0.0857 C.ar 2 UNK2 -0.1969 19 C 1.7114 -0.6168 -1.9303 C.ar 2 UNK2 -0.1309 20 C -0.9201 -1.6785 0.9231 C.2 1 GLY1 0.5417 21 C 2.5323 -0.0028 -0.9635 C.ar 2 UNK2 0.1520 22 CA -0.4420 -3.1254 0.8522 C.3 1 GLY1 -0.1878 23 H -2.0966 0.4555 -2.1134 H 2 UNK2 0.1674 24 H -1.9545 1.9000 -1.1080 H 2 UNK2 0.1988 25 H -2.1380 0.5957 1.0097 H 2 UNK2 0.2236 26 H -2.3985 -1.9606 -0.5534 H 2 UNK2 0.3265 27 H -0.2688 -0.7810 -2.7235 H 2 UNK2 0.1681 28 H 2.6234 1.4372 0.6615 H 2 UNK2 0.1985 29 H 2.1468 -1.3360 -2.6286 H 2 UNK2 0.1838 30 HA1 -0.4440 -3.5052 -0.1943 H 1 GLY1 0.1631 31 HA2 -1.1356 -3.7833 1.4277 H 1 GLY1 0.1761 32 H -5.2295 -0.7352 -1.3518 H 2 UNK2 0.3632 33 H1 1.5607 -2.6387 0.9359 H 1 GLY1 0.2500 34 H2 0.9392 -3.0566 2.3846 H 1 GLY1 0.2621 @BOND 1 27 16 1 2 29 19 1 3 23 12 1 4 16 19 ar 5 16 14 ar 6 19 21 ar 7 32 1 1 8 1 17 1 9 12 24 1 10 12 14 1 11 12 13 1 12 14 15 ar 13 8 21 1 14 8 10 2 15 21 18 ar 16 26 6 1 17 17 13 1 18 17 2 2 19 30 22 1 20 15 18 ar 21 15 7 1 22 10 11 2 23 18 28 1 24 13 6 1 25 13 25 1 26 6 20 am 27 5 7 2 28 7 4 2 29 22 20 1 30 22 9 1 31 22 31 1 32 20 3 2 33 33 9 1 34 9 34 1