@MOLECULE 5-bromo-7-(5-deoxy-5-{[3-({[4-(2-methyl-2-propanyl)phenyl]carbamoyl}amino)propyl]amino}-beta-d-ribofuranosyl)-7h-pyrrolo[2,3-d]pyrimidin-4-amine 71 74 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 BR -0.0996 -2.3991 1.8315 Br 1 UNL1 -0.0389 2 O 2.6903 1.3998 -1.1231 O.3 1 UNL1 -0.3357 3 O 4.1603 4.1453 -0.8094 O.3 1 UNL1 -0.5338 4 O 1.6234 4.4782 -0.1273 O.3 1 UNL1 -0.5468 5 O 1.1572 -1.5775 -2.7172 O.2 1 UNL1 -0.5217 6 N 0.7634 1.1970 0.1607 N.ar 1 UNL1 -0.3105 7 N 4.5945 -0.5064 -0.0808 N.3 1 UNL1 -0.5459 8 N -0.9538 2.8050 0.8606 N.ar 1 UNL1 -0.5525 9 N -2.6984 1.8502 2.2246 N.ar 1 UNL1 -0.5833 10 N -2.7983 -0.3793 2.8558 N.pl3 1 UNL1 -0.5650 11 N 1.9255 -3.0993 -1.2093 N.am 1 UNL1 -0.6441 12 N -0.3935 -2.7582 -1.4722 N.am 1 UNL1 -0.5953 13 C 3.9047 1.7881 -0.4802 C.3 1 UNL1 0.0510 14 C 3.6688 3.2051 0.1049 C.3 1 UNL1 0.0784 15 C 2.1365 3.2503 0.3113 C.3 1 UNL1 0.0340 16 C 1.6007 2.1145 -0.6176 C.3 1 UNL1 0.2294 17 C 4.2669 0.7559 0.6087 C.3 1 UNL1 -0.1535 18 C -0.3947 1.5611 0.8245 C.ar 1 UNL1 0.3056 19 C 0.9981 -0.1623 0.3796 C.ar 1 UNL1 -0.0153 20 C -0.9140 0.4006 1.4936 C.ar 1 UNL1 -0.2914 21 C 4.1960 -1.7211 0.6605 C.3 1 UNL1 -0.1014 22 C -0.0010 -0.6534 1.2017 C.ar 1 UNL1 -0.1136 23 C 4.2387 -2.9231 -0.3051 C.3 1 UNL1 -0.3083 24 C -2.1342 0.6047 2.1872 C.ar 1 UNL1 0.4789 25 C 3.3170 -2.7363 -1.5216 C.3 1 UNL1 -0.0427 26 C -4.7774 0.9336 -1.2225 C.3 1 UNL1 0.1231 27 C -2.0932 2.8737 1.5746 C.ar 1 UNL1 0.3043 28 C -3.6109 -0.0282 -1.3161 C.ar 1 UNL1 -0.0681 29 C -4.3386 2.3905 -1.4570 C.3 1 UNL1 -0.4601 30 C -5.4374 0.8658 0.1666 C.3 1 UNL1 -0.4688 31 C -5.8025 0.5333 -2.3008 C.3 1 UNL1 -0.4560 32 C -2.4508 0.3010 -2.0215 C.ar 1 UNL1 -0.1190 33 C -3.6951 -1.2962 -0.7351 C.ar 1 UNL1 -0.1230 34 C 0.9155 -2.3999 -1.8589 C.2 1 UNL1 0.7218 35 C -1.4593 -1.8302 -1.4817 C.ar 1 UNL1 0.2393 36 C -1.3838 -0.5841 -2.1156 C.ar 1 UNL1 -0.2261 37 C -2.6367 -2.1937 -0.8050 C.ar 1 UNL1 -0.2666 38 H 4.6377 1.7919 -1.3168 H 1 UNL1 0.1755 39 H 4.2378 3.4041 1.0349 H 1 UNL1 0.1473 40 H 1.8624 3.1036 1.3778 H 1 UNL1 0.1495 41 H 1.0267 2.4838 -1.5064 H 1 UNL1 0.1842 42 H 3.4002 0.6171 1.2911 H 1 UNL1 0.1526 43 H 5.1042 1.1365 1.2305 H 1 UNL1 0.1220 44 H 5.5716 -0.5405 -0.3530 H 1 UNL1 0.2579 45 H 3.4208 4.6161 -1.2592 H 1 UNL1 0.3456 46 H 0.6436 4.4782 0.0576 H 1 UNL1 0.3609 47 H 1.8397 -0.6533 -0.1002 H 1 UNL1 0.2224 48 H 4.8421 -1.9211 1.5412 H 1 UNL1 0.1075 49 H 3.1613 -1.5947 1.0498 H 1 UNL1 0.1482 50 H 5.2741 -3.0709 -0.6692 H 1 UNL1 0.1454 51 H 3.9818 -3.8461 0.2467 H 1 UNL1 0.1409 52 H 3.6654 -3.3643 -2.3725 H 1 UNL1 0.1337 53 H 3.3585 -1.6695 -1.8758 H 1 UNL1 0.1989 54 H -2.5935 3.8548 1.6389 H 1 UNL1 0.1944 55 H -2.5314 -1.3347 2.7557 H 1 UNL1 0.3183 56 H -3.6785 -0.1771 3.2935 H 1 UNL1 0.3219 57 H 1.7612 -3.7422 -0.4617 H 1 UNL1 0.3095 58 H -4.7041 1.0655 0.9583 H 1 UNL1 0.1620 59 H -5.8901 -0.1092 0.3619 H 1 UNL1 0.1385 60 H -6.2295 1.6150 0.2647 H 1 UNL1 0.1443 61 H -4.0104 2.5574 -2.4879 H 1 UNL1 0.1461 62 H -3.5150 2.6658 -0.7879 H 1 UNL1 0.1502 63 H -5.1627 3.0852 -1.2662 H 1 UNL1 0.1425 64 H -6.1635 -0.4883 -2.1447 H 1 UNL1 0.1443 65 H -5.3574 0.5730 -3.3010 H 1 UNL1 0.1492 66 H -6.6689 1.2005 -2.2909 H 1 UNL1 0.1411 67 H -2.3644 1.2681 -2.5175 H 1 UNL1 0.1569 68 H -4.6054 -1.5968 -0.2182 H 1 UNL1 0.1475 69 H -0.4963 -0.2970 -2.6853 H 1 UNL1 0.2012 70 H -2.7270 -3.1697 -0.3397 H 1 UNL1 0.1524 71 H -0.5387 -3.6074 -0.9432 H 1 UNL1 0.3088 @BOND 1 65 31 1 2 5 34 2 3 69 36 1 4 67 32 1 5 61 29 1 6 52 25 1 7 31 66 1 8 31 64 1 9 31 26 1 10 36 32 ar 11 36 35 ar 12 32 28 ar 13 53 25 1 14 34 12 am 15 34 11 am 16 25 11 1 17 25 23 1 18 41 16 1 19 35 12 1 20 35 37 ar 21 12 71 1 22 29 63 1 23 29 26 1 24 29 62 1 25 38 13 1 26 28 26 1 27 28 33 ar 28 45 3 1 29 26 30 1 30 11 57 1 31 2 16 1 32 2 13 1 33 3 14 1 34 37 33 ar 35 37 70 1 36 33 68 1 37 50 23 1 38 16 6 1 39 16 15 1 40 13 14 1 41 13 17 1 42 44 7 1 43 23 51 1 44 23 21 1 45 4 46 1 46 4 15 1 47 47 19 1 48 7 17 1 49 7 21 1 50 14 15 1 51 14 39 1 52 6 19 ar 53 6 18 ar 54 30 60 1 55 30 59 1 56 30 58 1 57 15 40 1 58 19 22 ar 59 17 43 1 60 17 42 1 61 21 49 1 62 21 48 1 63 18 8 ar 64 18 20 ar 65 8 27 ar 66 22 20 ar 67 22 1 1 68 20 24 ar 69 27 54 1 70 27 9 ar 71 24 9 ar 72 24 10 1 73 55 10 1 74 10 56 1