@MOLECULE (1r,5s,6s)-3-[5-chloro-6-ethyl-2-(5-pyrimidinyloxy)-1h-pyrrolo[2,3-d]pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-amine 44 48 0 0 0 SMALL GASTEIGER @ATOM 1 CL 3.1223 -2.2744 0.1222 Cl 1 UNL1111 -0.0398 2 C 1.4840 -2.0496 -0.1425 C.ar 1 UNL1111 -0.0702 3 C 0.6639 -3.0985 -0.5245 C.ar 1 UNL1111 0.0788 4 C 0.9989 -4.5100 -0.8149 C.3 1 UNL1111 -0.2489 5 C 1.1821 -5.2909 0.4894 C.3 1 UNL1111 -0.4277 6 N -0.6589 -2.6242 -0.5896 N.ar 1 UNL1111 -0.3496 7 C 0.7041 -0.8661 0.0318 C.ar 1 UNL1111 -0.3313 8 C 0.8504 0.5044 0.4003 C.ar 1 UNL1111 0.4827 9 N 2.0060 1.1392 0.7378 N.pl3 1 UNL1111 -0.3862 10 C 3.3371 0.7361 0.2239 C.3 1 UNL1111 -0.0539 11 C 4.1517 2.0158 0.1167 C.3 1 UNL1111 -0.2105 12 C 3.6231 3.0892 -0.8243 C.3 1 UNL1111 0.0322 13 N 4.5765 3.9761 -1.4403 N.3 1 UNL1111 -0.6264 14 C 3.3129 3.1552 0.6772 C.3 1 UNL1111 -0.2701 15 C 1.9770 2.5857 1.1102 C.3 1 UNL1111 -0.0498 16 N -0.2731 1.2919 0.5170 N.ar 1 UNL1111 -0.5949 17 C -1.4808 0.7428 0.2592 C.ar 1 UNL1111 0.5524 18 N -1.7646 -0.5169 -0.1345 N.ar 1 UNL1111 -0.5940 19 C -0.6505 -1.2908 -0.2356 C.ar 1 UNL1111 0.3521 20 O -2.4908 1.6484 0.4188 O.3 1 UNL1111 -0.2081 21 C -3.7576 1.1674 0.1484 C.ar 1 UNL1111 0.0176 22 C -4.4226 0.2759 1.0044 C.ar 1 UNL1111 0.0886 23 N -5.7121 -0.0331 0.7794 N.ar 1 UNL1111 -0.4082 24 C -6.3225 0.5251 -0.2926 C.ar 1 UNL1111 0.2046 25 N -5.7320 1.3768 -1.1620 N.ar 1 UNL1111 -0.4090 26 C -4.4418 1.6993 -0.9531 C.ar 1 UNL1111 0.0709 27 H 0.2207 -4.9922 -1.4430 H 1 UNL1111 0.1507 28 H 1.9326 -4.5633 -1.4209 H 1 UNL1111 0.1671 29 H 2.0095 -4.8846 1.0859 H 1 UNL1111 0.1582 30 H 0.2827 -5.2491 1.1151 H 1 UNL1111 0.1506 31 H 1.4051 -6.3453 0.2941 H 1 UNL1111 0.1447 32 H -1.4719 -3.1574 -0.8158 H 1 UNL1111 0.3348 33 H 3.8057 0.0473 0.9645 H 1 UNL1111 0.1670 34 H 3.2538 0.2244 -0.7588 H 1 UNL1111 0.1616 35 H 5.2168 1.9155 0.2974 H 1 UNL1111 0.1707 36 H 2.8071 2.8322 -1.5197 H 1 UNL1111 0.1763 37 H 4.1469 4.7910 -1.8474 H 1 UNL1111 0.2646 38 H 5.3318 4.2515 -0.8370 H 1 UNL1111 0.2555 39 H 3.7242 3.9394 1.2984 H 1 UNL1111 0.1648 40 H 1.1208 3.1181 0.6305 H 1 UNL1111 0.1829 41 H 1.8249 2.6523 2.2102 H 1 UNL1111 0.1605 42 H -3.9282 -0.1968 1.8622 H 1 UNL1111 0.1983 43 H -7.3767 0.2645 -0.4709 H 1 UNL1111 0.1952 44 H -3.9686 2.3858 -1.6652 H 1 UNL1111 0.1950 @BOND 1 2 3 ar 2 2 1 1 3 3 4 1 4 4 5 1 5 4 27 1 6 4 28 1 7 5 29 1 8 5 30 1 9 5 31 1 10 6 3 ar 11 6 32 1 12 7 2 ar 13 8 9 1 14 8 7 ar 15 9 15 1 16 10 9 1 17 10 33 1 18 10 34 1 19 11 10 1 20 11 14 1 21 11 35 1 22 12 11 1 23 12 14 1 24 12 36 1 25 13 12 1 26 13 37 1 27 13 38 1 28 14 15 1 29 14 39 1 30 15 40 1 31 15 41 1 32 16 8 ar 33 17 16 ar 34 17 18 ar 35 18 19 ar 36 19 7 ar 37 19 6 ar 38 20 17 1 39 21 20 1 40 22 21 ar 41 22 42 1 42 23 22 ar 43 24 23 ar 44 24 43 1 45 25 24 ar 46 25 26 ar 47 26 21 ar 48 26 44 1