@MOLECULE n~2~-(4-{[(2-amino-4-oxo-1,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidin-6-yl)methyl]amino}benzoyl)ornithine 58 60 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -6.7509 -0.6188 2.8351 O.2 1 UNL1 -0.4492 2 O 4.8596 0.3138 -2.0594 O.2 1 UNL1 -0.5264 3 O 7.7728 -2.6939 -0.4277 O.3 1 UNL1 -0.5549 4 OXT 5.9767 -3.0531 0.8482 O.2 1 UNL1 -0.5074 5 N -5.4714 0.2426 -1.7136 N.pl3 1 UNL1 -0.5407 6 N -1.3204 0.7375 -0.5824 N.pl3 1 UNL1 -0.5423 7 N -7.7257 0.2364 -0.9922 N.ar 1 UNL1 -0.5710 8 N -8.3448 -0.0888 1.3062 N.ar 1 UNL1 -0.6010 9 N 4.9509 -0.5907 0.0072 N.am 1 UNL1 -0.6138 10 N -10.0005 0.2889 -0.3236 N.pl3 1 UNL1 -0.6140 11 N 7.8960 3.7188 1.3221 N.3 1 UNL1 -0.6487 12 C -3.6657 0.2489 -0.0250 C.3 1 UNL1 -0.1396 13 C -4.5760 -0.4694 0.9843 C.3 1 UNL1 -0.2233 14 C -4.0738 -0.1640 -1.4553 C.3 1 UNL1 -0.0780 15 C -2.1936 -0.1181 0.2354 C.3 1 UNL1 -0.0936 16 C -6.0016 -0.2527 0.6187 C.ar 1 UNL1 -0.3890 17 C -6.3730 0.0328 -0.6697 C.ar 1 UNL1 0.4257 18 C -6.9975 -0.3506 1.6843 C.ar 1 UNL1 0.6169 19 C 0.0496 0.5264 -0.6135 C.ar 1 UNL1 0.2922 20 C -8.6614 0.1579 0.0672 C.ar 1 UNL1 0.5665 21 CA 6.3871 -0.8138 -0.0788 C.3 1 UNL1 0.0360 22 C 7.1624 -0.0066 0.9825 C.3 1 UNL1 -0.2993 23 C 0.6423 -0.6671 -0.1527 C.ar 1 UNL1 -0.3138 24 C 0.8590 1.5243 -1.2077 C.ar 1 UNL1 -0.3236 25 C 7.1341 1.4847 0.6416 C.3 1 UNL1 -0.2725 26 C 2.8045 0.1340 -0.8730 C.ar 1 UNL1 -0.2453 27 C 2.0098 -0.8548 -0.2930 C.ar 1 UNL1 -0.0265 28 C 2.2198 1.3155 -1.3438 C.ar 1 UNL1 0.0019 29 C 4.2606 -0.0312 -1.0606 C.2 1 UNL1 0.6101 30 C 7.8330 2.3002 1.7428 C.3 1 UNL1 -0.1031 31 C 6.6347 -2.2956 0.1875 C.2 1 UNL1 0.6019 32 H -3.8112 1.3518 0.0890 H 1 UNL1 0.1603 33 H -4.3539 -1.5568 1.0249 H 1 UNL1 0.1541 34 H -4.3881 -0.0962 2.0171 H 1 UNL1 0.1730 35 H -3.9402 -1.2598 -1.5943 H 1 UNL1 0.1378 36 H -3.4300 0.3485 -2.2073 H 1 UNL1 0.1583 37 H -1.9589 -0.0080 1.3204 H 1 UNL1 0.1447 38 H -2.0111 -1.1859 -0.0286 H 1 UNL1 0.1534 39 H -5.7877 0.0889 -2.6614 H 1 UNL1 0.2974 40 H -1.6510 1.6844 -0.7169 H 1 UNL1 0.3024 41 H -8.0176 0.3993 -1.9426 H 1 UNL1 0.3239 42 HA 6.7578 -0.5426 -1.1148 H 1 UNL1 0.2139 43 H 8.2115 -0.3648 1.0240 H 1 UNL1 0.1582 44 H 6.7356 -0.1814 1.9887 H 1 UNL1 0.1494 45 H 0.0399 -1.4458 0.3025 H 1 UNL1 0.1642 46 H 0.4105 2.4439 -1.5699 H 1 UNL1 0.1611 47 H 7.6326 1.6749 -0.3320 H 1 UNL1 0.1672 48 H 6.0918 1.8322 0.5070 H 1 UNL1 0.1500 49 H 4.4907 -0.8711 0.8595 H 1 UNL1 0.3239 50 H 2.4586 -1.7920 0.0453 H 1 UNL1 0.1563 51 H 2.8494 2.0710 -1.8243 H 1 UNL1 0.1672 52 H 7.3134 2.1605 2.7142 H 1 UNL1 0.1051 53 H 8.8793 1.9445 1.8767 H 1 UNL1 0.1412 54 H -10.6689 0.1990 0.4357 H 1 UNL1 0.3215 55 H -10.2319 1.0159 -0.9746 H 1 UNL1 0.2915 56 H 6.9849 4.0890 1.1097 H 1 UNL1 0.2470 57 H 8.3295 4.2976 2.0206 H 1 UNL1 0.2461 58 H 7.9868 -3.6509 -0.2972 H 1 UNL1 0.3566 @BOND 1 39 5 1 2 36 14 1 3 2 29 2 4 41 7 1 5 51 28 1 6 5 14 1 7 5 17 1 8 35 14 1 9 46 24 1 10 14 12 1 11 28 24 ar 12 28 26 ar 13 24 19 ar 14 42 21 1 15 29 26 1 16 29 9 am 17 7 17 ar 18 7 20 ar 19 55 10 1 20 26 27 ar 21 40 6 1 22 17 16 ar 23 19 6 1 24 19 23 ar 25 6 15 1 26 3 58 1 27 3 31 1 28 47 25 1 29 10 20 1 30 10 54 1 31 27 23 ar 32 27 50 1 33 23 45 1 34 21 9 1 35 21 31 1 36 21 22 1 37 38 15 1 38 12 32 1 39 12 15 1 40 12 13 1 41 9 49 1 42 20 8 ar 43 31 4 2 44 15 37 1 45 48 25 1 46 16 13 1 47 16 18 ar 48 25 22 1 49 25 30 1 50 22 43 1 51 22 44 1 52 13 33 1 53 13 34 1 54 56 11 1 55 8 18 ar 56 11 30 1 57 11 57 1 58 18 1 2 59 30 53 1 60 30 52 1