@MOLECULE adenosine triphosphate 47 49 0 0 0 SMALL GASTEIGER @ATOM 1 P 3.0933 -1.8451 -1.0100 P.3 1 UNL11111 0.3859 2 P 4.1824 1.0389 -0.6494 P.3 1 UNL11111 0.4042 3 P 1.8593 2.3387 0.8235 P.3 1 UNL11111 0.3876 4 O -0.5879 -0.7399 0.2579 O.3 1 UNL11111 -0.3950 5 O -2.0647 -0.1662 3.2291 O.3 1 UNL11111 -0.5330 6 O -1.4719 -3.3293 2.3548 O.3 1 UNL11111 -0.5490 7 O 1.6227 -1.9520 -0.4274 O.3 1 UNL11111 -0.2151 8 O 3.6142 -0.4180 -0.6599 O.3 1 UNL11111 -0.3534 9 O 3.9895 -2.7279 -0.0330 O.3 1 UNL11111 -0.3624 10 O 3.0382 -2.2217 -2.4047 O.2 1 UNL11111 -0.1918 11 O 3.2808 1.7983 0.3949 O.3 1 UNL11111 -0.1498 12 O 3.9271 1.6168 -2.0952 O.3 1 UNL11111 -0.3023 13 O 5.5494 1.1045 -0.1814 O.2 1 UNL11111 -0.1605 14 O 1.0975 2.7051 -0.5353 O.3 1 UNL11111 -0.4220 15 O 1.0013 1.1419 1.3752 O.3 1 UNL11111 -0.3283 16 O 2.0955 3.3767 1.8108 O.2 1 UNL11111 -0.2330 17 N -2.7987 -0.3115 -0.1853 N.ar 1 UNL11111 -0.3898 18 N -3.8932 -0.8989 -2.0885 N.ar 1 UNL11111 -0.3437 19 N -4.4950 1.2227 0.7768 N.ar 1 UNL11111 -0.5328 20 N -6.4492 1.4466 -0.6330 N.ar 1 UNL11111 -0.5716 21 N -6.7452 0.2862 -2.6403 N.pl3 1 UNL11111 -0.5480 22 C -2.1078 -1.0012 2.1040 C.3 1 UNL11111 0.0262 23 C -0.9574 -2.0256 2.2425 C.3 1 UNL11111 0.0798 24 C -1.7510 -0.1929 0.8246 C.3 1 UNL11111 0.2407 25 C -0.2427 -1.9894 0.8755 C.3 1 UNL11111 0.0545 26 C 1.2927 -1.9881 0.9736 C.3 1 UNL11111 -0.0613 27 C -4.0036 0.3708 -0.1623 C.ar 1 UNL11111 0.2708 28 C -2.7734 -1.0633 -1.3886 C.ar 1 UNL11111 0.1543 29 C -4.6877 -0.0133 -1.3620 C.ar 1 UNL11111 -0.1953 30 C -5.9682 0.5669 -1.5644 C.ar 1 UNL11111 0.4677 31 C -5.7098 1.7254 0.4679 C.ar 1 UNL11111 0.3035 32 H -3.1027 -1.4925 2.0470 H 1 UNL11111 0.1582 33 H -0.3026 -1.7971 3.1093 H 1 UNL11111 0.1572 34 H -1.5329 0.8922 1.0275 H 1 UNL11111 0.1966 35 H -0.6069 -2.7947 0.1965 H 1 UNL11111 0.1684 36 H 1.6439 -2.9223 1.4585 H 1 UNL11111 0.1385 37 H 1.6759 -1.1181 1.5445 H 1 UNL11111 0.1631 38 H -2.7430 0.5489 3.1350 H 1 UNL11111 0.3435 39 H -1.9178 -3.4556 3.2192 H 1 UNL11111 0.3315 40 H -1.9186 -1.6680 -1.6653 H 1 UNL11111 0.2158 41 H -6.1549 2.4378 1.1852 H 1 UNL11111 0.2009 42 H -7.6420 0.7186 -2.7502 H 1 UNL11111 0.3243 43 H -6.4151 -0.3475 -3.3443 H 1 UNL11111 0.3298 44 H 4.7729 -2.1553 0.3087 H 1 UNL11111 0.3376 45 H 2.9338 1.4712 -2.3379 H 1 UNL11111 0.3278 46 H 1.0444 3.7164 -0.6322 H 1 UNL11111 0.3231 47 H 0.7266 0.4942 0.6168 H 1 UNL11111 0.3466 @BOND 1 1 7 1 2 1 8 1 3 1 9 1 4 1 10 2 5 2 8 1 6 2 11 1 7 2 12 1 8 2 13 2 9 3 11 1 10 3 14 1 11 3 15 1 12 3 16 2 13 4 24 1 14 4 25 1 15 5 22 1 16 5 38 1 17 6 23 1 18 6 39 1 19 7 26 1 20 9 44 1 21 12 45 1 22 14 46 1 23 15 47 1 24 17 24 1 25 17 27 ar 26 17 28 ar 27 18 28 ar 28 18 29 ar 29 19 27 ar 30 19 31 ar 31 20 30 ar 32 20 31 ar 33 21 30 1 34 21 42 1 35 21 43 1 36 22 23 1 37 22 24 1 38 22 32 1 39 23 25 1 40 23 33 1 41 24 34 1 42 25 26 1 43 25 35 1 44 26 36 1 45 26 37 1 46 27 29 ar 47 28 40 1 48 29 30 ar 49 31 41 1