@MOLECULE n-((2,4-diaminopteridin-6-yl)methyl)dibenz(b,f)azepine 45 49 0 0 0 SMALL GASTEIGER @ATOM 1 C 5.2282 0.1570 0.6239 C.ar 1 UNL1111111111 0.5762 2 C 3.9459 -0.9108 -1.0034 C.ar 1 UNL1111111111 0.4884 3 C 2.7934 -0.8132 -0.1289 C.ar 1 UNL1111111111 -0.2293 4 C 0.5734 -1.1386 0.3333 C.ar 1 UNL1111111111 0.0254 5 C 0.7634 -0.5110 1.6238 C.ar 1 UNL1111111111 0.0856 6 C 3.0007 -0.1784 1.1434 C.ar 1 UNL1111111111 0.3821 7 C -0.7963 -1.6055 -0.0895 C.3 1 UNL1111111111 -0.0783 8 C -3.1281 -0.8078 0.0646 C.ar 1 UNL1111111111 0.1850 9 C -3.6136 -1.8929 -0.6751 C.ar 1 UNL1111111111 -0.2349 10 C -4.9736 -2.1867 -0.6648 C.ar 1 UNL1111111111 -0.1148 11 C -5.8556 -1.4011 0.0733 C.ar 1 UNL1111111111 -0.1797 12 C -5.3743 -0.3248 0.8130 C.ar 1 UNL1111111111 -0.1329 13 C -4.0117 -0.0125 0.8229 C.ar 1 UNL1111111111 -0.0397 14 C -3.5494 1.1065 1.6368 C.2 1 UNL1111111111 -0.1460 15 C -2.5784 1.9682 1.2985 C.2 1 UNL1111111111 -0.1275 16 C -1.8253 1.9416 0.0502 C.ar 1 UNL1111111111 -0.0492 17 C -1.4686 3.1534 -0.5501 C.ar 1 UNL1111111111 -0.1268 18 C -0.7395 3.1750 -1.7346 C.ar 1 UNL1111111111 -0.1713 19 C -0.3564 1.9785 -2.3376 C.ar 1 UNL1111111111 -0.1112 20 C -0.7018 0.7620 -1.7595 C.ar 1 UNL1111111111 -0.2227 21 C -1.4261 0.7380 -0.5615 C.ar 1 UNL1111111111 0.1743 22 N 4.2087 0.3017 1.5223 N.ar 1 UNL1111111111 -0.5450 23 N 6.4489 0.6417 0.9892 N.pl3 1 UNL1111111111 -0.5592 24 N 5.1502 -0.4320 -0.6240 N.ar 1 UNL1111111111 -0.6350 25 N 3.8506 -1.4794 -2.2331 N.pl3 1 UNL1111111111 -0.5457 26 N 1.5744 -1.2819 -0.5145 N.ar 1 UNL1111111111 -0.2772 27 N 1.9297 -0.0489 2.0172 N.ar 1 UNL1111111111 -0.3401 28 N -1.7356 -0.4845 0.1242 N.pl3 1 UNL1111111111 -0.4375 29 H -0.0923 -0.3930 2.3083 H 1 UNL1111111111 0.2069 30 H -0.7800 -1.9846 -1.1382 H 1 UNL1111111111 0.1506 31 H -1.1218 -2.4559 0.5599 H 1 UNL1111111111 0.1682 32 H -2.9398 -2.5031 -1.2709 H 1 UNL1111111111 0.1594 33 H -5.3491 -3.0310 -1.2406 H 1 UNL1111111111 0.1495 34 H -6.9191 -1.6284 0.0731 H 1 UNL1111111111 0.1530 35 H -6.0678 0.2853 1.3912 H 1 UNL1111111111 0.1539 36 H -4.0733 1.2184 2.5909 H 1 UNL1111111111 0.1539 37 H -2.3046 2.7822 1.9779 H 1 UNL1111111111 0.1581 38 H -1.7664 4.0909 -0.0814 H 1 UNL1111111111 0.1547 39 H -0.4655 4.1252 -2.1878 H 1 UNL1111111111 0.1540 40 H 0.2171 1.9928 -3.2632 H 1 UNL1111111111 0.1516 41 H -0.3956 -0.1662 -2.2386 H 1 UNL1111111111 0.1665 42 H 7.2286 0.5654 0.3691 H 1 UNL1111111111 0.3234 43 H 6.5641 1.0797 1.8835 H 1 UNL1111111111 0.3300 44 H 4.6510 -1.5513 -2.8292 H 1 UNL1111111111 0.3217 45 H 2.9692 -1.8480 -2.5416 H 1 UNL1111111111 0.3318 @BOND 1 1 22 ar 2 1 23 1 3 1 24 ar 4 2 3 ar 5 2 24 ar 6 2 25 1 7 3 6 ar 8 3 26 ar 9 4 5 ar 10 4 7 1 11 4 26 ar 12 5 27 ar 13 5 29 1 14 6 22 ar 15 6 27 ar 16 7 28 1 17 7 30 1 18 7 31 1 19 8 9 ar 20 8 13 ar 21 8 28 1 22 9 10 ar 23 9 32 1 24 10 11 ar 25 10 33 1 26 11 12 ar 27 11 34 1 28 12 13 ar 29 12 35 1 30 13 14 1 31 14 15 2 32 14 36 1 33 15 16 1 34 15 37 1 35 16 17 ar 36 16 21 ar 37 17 18 ar 38 17 38 1 39 18 19 ar 40 18 39 1 41 19 20 ar 42 19 40 1 43 20 21 ar 44 20 41 1 45 21 28 1 46 23 42 1 47 23 43 1 48 25 44 1 49 25 45 1