@MOLECULE dCTP2 40 41 4 0 1 SMALL USER_CHARGES @ATOM 1 OR 1.893841 1.703592 -0.000000 OS 1 P2M -0.5717 **** 2 P 1.511037 0.000000 0.000000 P 1 P2M 1.0294 **** 3 OP1 2.142015 -0.481316 -1.285859 O2 1 P2M -0.8777 **** 4 OP2 2.174586 -0.448283 1.273158 O2 1 P2M -0.8777 **** 5 OP3 0.000000 0.000000 0.000000 O2 1 P2M -0.8777 **** 6 OR 1.995803 4.123658 0.768655 OS 2 P1 -0.3837 **** 7 P 1.410931 2.649617 1.209931 P 2 P1 0.7819 **** 8 OP1 2.004585 2.136634 2.463610 O2 2 P1 -0.6991 **** 9 OP2 -0.057956 2.602132 1.273137 O2 2 P1 -0.6991 **** 10 OR 2.455838 6.622096 0.832886 OS 3 P1 -0.3837 **** 11 P 1.677185 5.428383 1.656504 P 3 P1 0.7819 **** 12 OP1 2.218063 5.206900 3.015063 O2 3 P1 -0.6991 **** 13 OP2 0.218042 5.609405 1.701330 O2 3 P1 -0.6991 **** 14 O3' 1.694102 9.622484 -1.370894 OH 4 C5 -0.6051 **** 15 H3T 1.396927 9.531748 -2.265431 HO 4 C5 0.4297 **** 16 C1' 5.162602 8.673983 -0.852947 CT 4 C5 0.1061 **** 17 H1' 5.997905 9.341096 -0.732115 H2 4 C5 0.0993 **** 18 C2' 4.099516 9.244058 -1.796521 CT 4 C5 -0.0509 **** 19 H2'1 4.138364 10.327832 -1.773721 HC 4 C5 0.0547 **** 20 H2'2 4.243936 8.920951 -2.816771 HC 4 C5 0.0547 **** 21 C3' 2.795497 8.787218 -1.149815 CT 4 C5 0.0844 **** 22 H3' 2.560427 7.765815 -1.429124 H1 4 C5 0.0828 **** 23 C4' 3.163368 8.844584 0.327216 CT 4 C5 0.1384 **** 24 H4' 3.050366 9.872050 0.663139 H1 4 C5 0.0884 **** 25 C5' 2.357869 7.963924 1.254786 CT 4 C5 0.0797 **** 26 H5'1 2.744003 8.055195 2.265939 H1 4 C5 0.0495 **** 27 H5'2 1.317093 8.275036 1.235670 H1 4 C5 0.0495 **** 28 O4' 4.527650 8.481822 0.376492 OS 4 C5 -0.3612 **** 29 N4 7.499154 4.062310 -2.710067 N2 4 C5 -0.7536 **** 30 H41 7.470753 3.218002 -2.187890 H 4 C5 0.3676 **** 31 H42 8.264777 4.192018 -3.332754 H 4 C5 0.3676 **** 32 C4 6.912619 5.178938 -2.226977 CA 4 C5 0.6665 **** 33 N3 7.242777 6.311004 -2.769051 NC 4 C5 -0.7500 **** 34 C2 6.663463 7.464992 -2.351764 C 4 C5 0.7688 **** 35 O2 6.905504 8.548293 -2.816238 O 4 C5 -0.6630 **** 36 N1 5.719401 7.390231 -1.312067 N* 4 C5 -0.0071 **** 37 C6 5.389219 6.206815 -0.750343 CM 4 C5 -0.0352 **** 38 H6 4.661542 6.242135 0.032601 H4 4 C5 0.1670 **** 39 C5 5.949776 5.060692 -1.171999 CM 4 C5 -0.4535 **** 40 H5 5.686376 4.114503 -0.742928 HA 4 C5 0.2003 **** @BOND 1 2 3 1 2 2 4 1 3 2 5 1 4 1 2 1 5 1 7 1 6 7 8 1 7 7 9 1 8 6 7 1 9 6 11 1 10 11 12 1 11 11 13 1 12 10 11 1 13 10 25 1 14 39 40 1 15 37 38 1 16 37 39 1 17 36 37 1 18 34 35 1 19 34 36 1 20 33 34 1 21 32 33 1 22 32 39 1 23 29 30 1 24 29 31 1 25 29 32 1 26 25 26 1 27 25 27 1 28 23 24 1 29 23 25 1 30 23 28 1 31 21 22 1 32 21 23 1 33 18 19 1 34 18 20 1 35 18 21 1 36 16 17 1 37 16 18 1 38 16 28 1 39 16 36 1 40 14 15 1 41 14 21 1 @SUBSTRUCTURE 1 P2M 1 **** 0 **** **** 2 P1 6 **** 0 **** **** 3 P1 10 **** 0 **** **** 4 C5 14 **** 0 **** ****