@MOLECULE aica ribonucleotide 37 38 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 P -4.2114 0.9862 0.3516 P.3 1 UNL1 0.3668 2 O -0.1961 -0.6582 -1.6911 O.3 1 UNL1 -0.4054 3 O 0.6996 -2.9698 0.7518 O.3 1 UNL1 -0.5425 4 O -1.7533 -2.8466 -0.0968 O.3 1 UNL1 -0.5644 5 O -3.1260 1.0926 -0.8039 O.3 1 UNL1 -0.1918 6 O -3.6689 1.8462 1.5859 O.3 1 UNL1 -0.4090 7 O -3.9598 -0.4802 0.9412 O.3 1 UNL1 -0.3804 8 O -5.5214 1.3028 -0.1809 O.2 1 UNL1 -0.2495 9 O 5.5658 0.2740 1.2464 O.2 1 UNL1 -0.6069 10 N 1.8644 -0.2265 -0.7405 N.ar 1 UNL1 -0.4289 11 N 2.9574 1.7459 -0.8176 N.ar 1 UNL1 -0.3301 12 N 3.5029 -1.6098 0.4493 N.pl3 1 UNL1 -0.5903 13 N 5.5522 2.3647 0.3968 N.am 1 UNL1 -0.6602 14 C 0.2436 -1.6907 0.4423 C.3 1 UNL1 0.0534 15 C -1.2852 -1.5603 0.2465 C.3 1 UNL1 0.0610 16 C 0.8348 -1.2409 -0.9330 C.3 1 UNL1 0.2448 17 C -1.4336 -0.6310 -0.9711 C.3 1 UNL1 0.0340 18 C -1.7246 0.8354 -0.6168 C.3 1 UNL1 -0.0765 19 C 3.0679 -0.4109 -0.0493 C.ar 1 UNL1 0.3379 20 C 1.8546 1.1165 -1.2006 C.ar 1 UNL1 0.0942 21 C 3.7290 0.8376 -0.0920 C.ar 1 UNL1 -0.2395 22 C 4.9983 1.1169 0.5594 C.2 1 UNL1 0.6504 23 H 0.6055 -1.0660 1.2906 H 1 UNL1 0.1660 24 H -1.7988 -1.2116 1.1653 H 1 UNL1 0.1619 25 H 1.2337 -2.0895 -1.5459 H 1 UNL1 0.1731 26 H -2.1676 -1.0296 -1.7133 H 1 UNL1 0.1830 27 H -1.3076 1.5114 -1.4038 H 1 UNL1 0.1607 28 H -1.2930 1.1391 0.3538 H 1 UNL1 0.1458 29 H 0.1077 -3.6623 0.3642 H 1 UNL1 0.3573 30 H -2.7233 -2.8995 0.0454 H 1 UNL1 0.3440 31 H 1.0487 1.5121 -1.7919 H 1 UNL1 0.1942 32 H 2.8299 -2.3126 0.6993 H 1 UNL1 0.3163 33 H 4.3554 -1.5563 1.0060 H 1 UNL1 0.3456 34 H -4.0009 2.8075 1.4983 H 1 UNL1 0.3288 35 H -4.5389 -0.5951 1.7785 H 1 UNL1 0.3259 36 H 5.0967 3.0629 -0.1553 H 1 UNL1 0.3199 37 H 6.4198 2.5921 0.8328 H 1 UNL1 0.3101 @BOND 1 31 20 1 2 26 17 1 3 2 17 1 4 2 16 1 5 25 16 1 6 27 18 1 7 20 11 ar 8 20 10 ar 9 17 18 1 10 17 15 1 11 16 10 1 12 16 14 1 13 11 21 ar 14 5 18 1 15 5 1 1 16 10 19 ar 17 18 28 1 18 8 1 2 19 36 13 1 20 4 30 1 21 4 15 1 22 21 19 ar 23 21 22 1 24 19 12 1 25 15 14 1 26 15 24 1 27 1 7 1 28 1 6 1 29 29 3 1 30 13 22 am 31 13 37 1 32 14 3 1 33 14 23 1 34 12 32 1 35 12 33 1 36 22 9 2 37 7 35 1 38 34 6 1