@MOLECULE 6-chloro-n-(4-{[(2,4-diamino-6-pteridinyl)methyl](methyl)amino}benzoyl)-5-oxo-l-norleucine 57 59 0 0 0 SMALL GASTEIGER @ATOM 1 CL -6.5873 1.4274 -0.8600 Cl 1 UNL1111111111 -0.0960 2 O -2.3942 -2.8550 -1.4000 O.3 1 UNL1111111111 -0.5397 3 O -0.0471 -3.4282 2.2108 O.2 1 UNL1111111111 -0.5169 4 OXT -4.0095 -3.5052 -0.0115 O.2 1 UNL1111111111 -0.5189 5 O -4.0492 2.0231 0.3378 O.2 1 UNL1111111111 -0.4590 6 N -0.7563 -2.0763 0.5342 N.am 1 UNL1111111111 -0.5896 7 N 5.1793 -0.8979 -0.8156 N.pl3 1 UNL1111111111 -0.3996 8 N 3.4138 1.8005 -0.6198 N.ar 1 UNL1111111111 -0.2610 9 N 1.0261 0.5347 -1.4908 N.ar 1 UNL1111111111 -0.3648 10 N -0.2295 1.9680 -0.1237 N.ar 1 UNL1111111111 -0.5823 11 N 0.8454 3.7739 1.1355 N.ar 1 UNL1111111111 -0.6273 12 N 3.1482 4.0475 1.1406 N.pl3 1 UNL1111111111 -0.5384 13 N -1.4710 3.4389 1.1830 N.pl3 1 UNL1111111111 -0.5389 14 CA -2.1513 -2.2198 0.9016 C.3 1 UNL1111111111 0.0392 15 C -2.8242 -0.8509 1.1468 C.3 1 UNL1111111111 -0.2719 16 C -2.8290 0.0308 -0.1012 C.3 1 UNL1111111111 -0.4238 17 C 4.0339 -1.4610 -0.1556 C.ar 1 UNL1111111111 0.1948 18 C 4.7593 0.1384 -1.8055 C.3 1 UNL1111111111 -0.0872 19 C 1.6060 -2.3763 0.8237 C.ar 1 UNL1111111111 -0.1614 20 C 0.2305 -2.7036 1.2795 C.2 1 UNL1111111111 0.5983 21 C -2.9573 -2.9451 -0.1727 C.2 1 UNL1111111111 0.6020 22 C 3.2839 -2.3884 -0.9012 C.ar 1 UNL1111111111 -0.2226 23 C 3.6268 -1.1080 1.1377 C.ar 1 UNL1111111111 -0.2467 24 C -4.0490 0.9056 -0.1110 C.2 1 UNL1111111111 0.4975 25 C 2.0641 -2.8357 -0.4106 C.ar 1 UNL1111111111 -0.0818 26 C 2.4087 -1.5686 1.6261 C.ar 1 UNL1111111111 -0.0712 27 C 3.4388 0.7732 -1.4503 C.ar 1 UNL1111111111 -0.0182 28 C 6.2249 -0.4028 0.0968 C.3 1 UNL1111111111 -0.2723 29 C -5.2758 0.2637 -0.7087 C.3 1 UNL1111111111 -0.3277 30 C 2.2136 0.1723 -1.9299 C.ar 1 UNL1111111111 0.0740 31 C 2.1963 2.2370 -0.2002 C.ar 1 UNL1111111111 -0.2317 32 C 0.9766 1.5940 -0.5970 C.ar 1 UNL1111111111 0.3813 33 C 2.0586 3.3676 0.7044 C.ar 1 UNL1111111111 0.4918 34 C -0.2582 3.0545 0.7145 C.ar 1 UNL1111111111 0.5870 35 HA -2.2282 -2.8483 1.8460 H 1 UNL1111111111 0.2046 36 H -2.2870 -0.3320 1.9702 H 1 UNL1111111111 0.1733 37 H -3.8507 -1.0214 1.5282 H 1 UNL1111111111 0.1523 38 H -2.7484 -0.5569 -1.0382 H 1 UNL1111111111 0.1843 39 H -1.9018 0.6653 -0.1310 H 1 UNL1111111111 0.2373 40 H -0.5288 -1.3978 -0.1870 H 1 UNL1111111111 0.3439 41 H 5.5538 0.9125 -1.9102 H 1 UNL1111111111 0.1661 42 H 4.6929 -0.3778 -2.7930 H 1 UNL1111111111 0.1590 43 H 3.6586 -2.7329 -1.8652 H 1 UNL1111111111 0.1724 44 H 4.2344 -0.4449 1.7506 H 1 UNL1111111111 0.1670 45 H 1.4608 -3.5317 -0.9979 H 1 UNL1111111111 0.1671 46 H 2.0703 -1.2771 2.6228 H 1 UNL1111111111 0.1677 47 H 7.1404 -0.2231 -0.4944 H 1 UNL1111111111 0.1513 48 H 6.4688 -1.1839 0.8371 H 1 UNL1111111111 0.1547 49 H 5.9649 0.5250 0.6300 H 1 UNL1111111111 0.1347 50 H -5.6427 -0.5676 -0.0759 H 1 UNL1111111111 0.1862 51 H -5.0776 -0.1389 -1.7185 H 1 UNL1111111111 0.1803 52 H 2.2471 -0.6395 -2.6723 H 1 UNL1111111111 0.1932 53 H -2.8895 -3.3492 -2.1002 H 1 UNL1111111111 0.3499 54 H 3.0557 4.8331 1.7569 H 1 UNL1111111111 0.3266 55 H 4.0622 3.7654 0.8350 H 1 UNL1111111111 0.3305 56 H -1.5560 4.2481 1.7669 H 1 UNL1111111111 0.3255 57 H -2.3129 2.9607 0.8773 H 1 UNL1111111111 0.3552 @BOND 1 1 29 1 2 2 21 1 3 2 53 1 4 3 20 2 5 4 21 2 6 5 24 2 7 6 14 1 8 6 20 am 9 6 40 1 10 7 17 1 11 7 18 1 12 7 28 1 13 8 27 ar 14 8 31 ar 15 9 30 ar 16 9 32 ar 17 10 32 ar 18 10 34 ar 19 11 33 ar 20 11 34 ar 21 12 33 1 22 12 54 1 23 12 55 1 24 13 34 1 25 13 56 1 26 13 57 1 27 14 15 1 28 14 21 1 29 14 35 1 30 15 16 1 31 15 36 1 32 15 37 1 33 16 24 1 34 16 38 1 35 16 39 1 36 17 22 ar 37 17 23 ar 38 18 27 1 39 18 41 1 40 18 42 1 41 19 20 1 42 19 25 ar 43 19 26 ar 44 22 25 ar 45 22 43 1 46 23 26 ar 47 23 44 1 48 24 29 1 49 25 45 1 50 26 46 1 51 27 30 ar 52 28 47 1 53 28 48 1 54 28 49 1 55 29 50 1 56 29 51 1 57 30 52 1 58 31 32 ar 59 31 33 ar