@MOLECULE 2-amino-5-(5-amino-1-pentyn-1-yl)-7-{2-deoxy-5-o-[(s)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-d-erythro-pentofuranosyl}-3,7-dihydro-4h-pyrrolo[2,3-d]pyrimidin-4-one 37 41 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 5.6239 -1.3312 1.2297 O.2 1 UNL1 -0.2953 2 C 4.6053 -1.9523 1.2278 C.ar 1 UNL1 0.5091 3 N 4.3560 -3.0683 2.1368 N.ar 1 UNL1 -0.3789 4 C 3.3547 -4.0093 1.5555 C.ar 1 UNL1 0.2646 5 N 4.5373 -4.4790 1.7346 N.ar 1 UNL1 -0.0248 6 N 2.1480 -3.7238 0.9521 N.ar 1 UNL1 -0.2814 7 C 3.3782 -1.5858 0.4671 C.ar 1 UNL1 -0.2668 8 C 2.1978 -2.5194 0.4513 C.ar 1 UNL1 0.3248 9 C 3.0824 -0.5043 -0.2858 C.ar 1 UNL1 -0.0599 10 C 3.8895 0.5663 -0.6190 C.1 1 UNL1 -0.0228 11 C 4.6358 1.4824 -0.9243 C.1 1 UNL1 0.0364 12 C 5.4742 2.4894 -1.2701 C.1 1 UNL1 0.0536 13 C 6.2353 3.3870 -1.5868 C.1 1 UNL1 -0.0387 14 C 7.0785 4.4029 -1.9525 C.1 1 UNL1 0.1445 15 N 7.7811 5.2693 -2.2689 N.1 1 UNL1 -0.1680 16 C 1.5975 -0.6248 -0.8068 C.ar 1 UNL1 0.4250 17 N 1.1852 -1.8447 -0.3121 N.ar 1 UNL1 -0.3255 18 C -0.0358 -2.3953 -0.4817 C.1 1 UNL1 0.1092 19 C -1.1256 -2.9095 -0.6299 C.1 1 UNL1 -0.1233 20 C -2.4082 -3.5111 -0.8000 C.2 1 UNL1 0.3754 21 O -2.8538 -4.3485 -0.0582 O.2 1 UNL1 -0.3475 22 O -3.2936 -3.5778 -3.0063 O.2 1 UNL1 -0.3769 23 C -3.1984 -2.9584 -1.9842 C.2 1 UNL1 0.1548 24 C -3.9703 -1.6448 -1.6707 C.3 1 UNL1 0.3842 25 O -3.1755 -0.6791 -1.8838 O.3 1 UNL1 -0.4207 26 P -3.0870 0.8607 -1.4119 P.3 1 UNL1 0.4749 27 O -2.8723 1.6893 -2.5599 O.2 1 UNL1 -0.1560 28 O -4.3479 1.0875 -0.4472 O.3 1 UNL1 -0.0050 29 O -1.8967 0.6948 -0.3539 O.3 1 UNL1 -0.1064 30 P -2.5113 0.4673 1.1418 P.3 1 UNL1 0.4395 31 O -4.0834 0.3517 0.7824 O.3 1 UNL1 -0.0366 32 O -1.9414 -0.5871 1.9349 O.2 1 UNL1 -0.1677 33 O -2.2303 1.8352 1.8547 O.3 1 UNL1 -0.2195 34 P -2.2841 3.3970 1.8237 P.3 1 UNL1 0.4457 35 O -3.5059 3.9837 1.0387 O.3 1 UNL1 -0.0769 36 O -1.7524 3.8202 3.0853 O.2 1 UNL1 -0.1810 37 O -2.0445 4.0074 0.4019 O.3 1 UNL1 -0.0621 @BOND 1 22 23 2 2 27 26 2 3 15 14 3 4 23 24 1 5 23 20 1 6 14 13 1 7 25 24 1 8 25 26 1 9 13 12 3 10 26 28 1 11 26 29 1 12 12 11 1 13 11 10 3 14 16 17 ar 15 16 9 ar 16 20 19 1 17 20 21 2 18 19 18 3 19 10 9 1 20 18 17 1 21 28 31 1 22 29 30 1 23 17 8 ar 24 9 7 ar 25 37 35 1 26 37 34 1 27 8 7 ar 28 8 6 ar 29 7 2 ar 30 31 30 1 31 6 4 ar 32 35 34 1 33 30 33 1 34 30 32 2 35 2 1 2 36 2 3 ar 37 4 5 ar 38 4 3 ar 39 5 3 ar 40 34 33 1 41 34 36 2