@MOLECULE streptomycin 79 81 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.5603 -1.4512 -0.0151 O.3 1 UNL1111 -0.4718 2 O -0.8077 -2.8214 1.2546 O.3 1 UNL1111 -0.4180 3 O -2.3083 -0.0511 0.2406 O.3 1 UNL1111 -0.4734 4 O -2.8638 0.9835 -1.7724 O.3 1 UNL1111 -0.4552 5 O -3.7132 -2.2837 0.7744 O.3 1 UNL1111 -0.5220 6 O 3.9812 -2.3289 0.4447 O.3 1 UNL1111 -0.5734 7 O 1.1410 1.0871 -0.7175 O.3 1 UNL1111 -0.5789 8 O 3.8701 -1.7394 -2.3684 O.3 1 UNL1111 -0.5359 9 O -1.4421 2.3374 1.2870 O.3 1 UNL1111 -0.5731 10 O -0.6244 3.7201 -0.8919 O.3 1 UNL1111 -0.5308 11 O -4.2172 -2.1107 -1.9277 O.2 1 UNL1111 -0.3955 12 O -1.0022 0.9425 -3.9613 O.3 1 UNL1111 -0.5337 13 N 1.1632 0.5351 1.9823 N.pl3 1 UNL1111 -0.6290 14 N 4.6876 0.2353 -0.5464 N.pl3 1 UNL1111 -0.6563 15 N -3.9967 1.3117 1.6969 N.3 1 UNL1111 -0.5050 16 N 0.1341 1.2325 3.9363 N.pl3 1 UNL1111 -0.6203 17 N 1.8620 -0.3975 4.1155 N.pl3 1 UNL1111 -0.6694 18 N 6.6228 1.1629 0.3415 N.pl3 1 UNL1111 -0.6212 19 N 5.1958 2.5857 -0.9080 N.pl3 1 UNL1111 -0.6663 20 C -1.7464 -1.2237 -0.2743 C.3 1 UNL1111 0.0087 21 C 1.7638 -1.5051 0.7382 C.3 1 UNL1111 0.0647 22 C -2.6755 -2.4589 -0.1499 C.3 1 UNL1111 0.0760 23 C -0.6182 -1.5269 0.7499 C.3 1 UNL1111 0.2993 24 C 2.1897 -0.0748 1.1662 C.3 1 UNL1111 -0.0227 25 C 2.7833 -2.1130 -0.2536 C.3 1 UNL1111 0.0852 26 C 2.3548 0.8630 -0.0598 C.3 1 UNL1111 0.1465 27 C -1.7353 -3.5473 0.4493 C.3 1 UNL1111 0.1177 28 C 2.9401 -1.1879 -1.4767 C.3 1 UNL1111 0.1056 29 C 3.3482 0.2659 -1.1024 C.3 1 UNL1111 -0.0387 30 C -3.3102 0.6059 -0.5116 C.3 1 UNL1111 0.3179 31 C -3.6366 1.8399 0.3693 C.3 1 UNL1111 -0.0808 32 C -2.4311 2.8124 0.4156 C.3 1 UNL1111 0.0713 33 C -1.8708 3.0844 -0.9980 C.3 1 UNL1111 0.0430 34 C -1.6983 1.7917 -1.8170 C.3 1 UNL1111 0.0211 35 C -0.9522 -4.3539 -0.5720 C.3 1 UNL1111 -0.4949 36 C -3.3405 -2.8003 -1.4794 C.2 1 UNL1111 0.3050 37 C -1.5206 2.0832 -3.3138 C.3 1 UNL1111 -0.0144 38 C 1.1027 0.4402 3.2785 C.cat 1 UNL1111 0.5449 39 C -4.8445 2.2498 2.4594 C.3 1 UNL1111 -0.2754 40 C 5.4286 1.2960 -0.4058 C.cat 1 UNL1111 0.5511 41 H -1.3792 -1.0634 -1.3080 H 1 UNL1111 0.1650 42 H 1.6384 -2.1642 1.6238 H 1 UNL1111 0.1534 43 H -0.5947 -0.8647 1.6380 H 1 UNL1111 0.1665 44 H 3.1883 -0.1547 1.6745 H 1 UNL1111 0.1435 45 H 2.4740 -3.1366 -0.5689 H 1 UNL1111 0.1603 46 H 2.6681 1.8782 0.2691 H 1 UNL1111 0.1367 47 H -2.2761 -4.1829 1.1844 H 1 UNL1111 0.1601 48 H 1.9945 -1.1683 -2.0740 H 1 UNL1111 0.1662 49 H 3.2837 0.8719 -2.0463 H 1 UNL1111 0.1596 50 H -4.1690 -0.0702 -0.7301 H 1 UNL1111 0.1769 51 H -4.5132 2.3587 -0.0957 H 1 UNL1111 0.1617 52 H -2.7152 3.7741 0.9062 H 1 UNL1111 0.1516 53 H -2.5008 3.8309 -1.5309 H 1 UNL1111 0.1512 54 H -0.8471 1.1862 -1.4377 H 1 UNL1111 0.1593 55 H -0.4395 -3.7096 -1.2996 H 1 UNL1111 0.1689 56 H -1.5722 -5.0780 -1.1066 H 1 UNL1111 0.1477 57 H -0.1568 -4.9244 -0.0661 H 1 UNL1111 0.1724 58 H -2.9931 -3.6930 -2.0098 H 1 UNL1111 0.1190 59 H -3.7342 -1.3486 1.1084 H 1 UNL1111 0.3544 60 H 4.5712 -1.5391 0.3755 H 1 UNL1111 0.3510 61 H -3.1352 1.1000 2.2102 H 1 UNL1111 0.2730 62 H 0.5845 0.2717 -0.6698 H 1 UNL1111 0.3495 63 H 4.7638 -1.7471 -1.9554 H 1 UNL1111 0.3314 64 H -2.4697 2.3801 -3.7932 H 1 UNL1111 0.1256 65 H -0.7437 2.8549 -3.4793 H 1 UNL1111 0.1629 66 H -0.9173 1.5862 0.9163 H 1 UNL1111 0.3561 67 H 0.0056 3.1429 -0.3878 H 1 UNL1111 0.3458 68 H -5.1464 1.7551 3.3987 H 1 UNL1111 0.1481 69 H -4.3595 3.2037 2.7112 H 1 UNL1111 0.1219 70 H -5.7679 2.4635 1.8968 H 1 UNL1111 0.1456 71 H -1.6363 0.1996 -3.8835 H 1 UNL1111 0.3159 72 H -0.3712 0.7876 4.6831 H 1 UNL1111 0.2858 73 H -0.4781 1.7336 3.2961 H 1 UNL1111 0.3155 74 H 1.9403 -0.1654 5.0872 H 1 UNL1111 0.2972 75 H 2.7011 -0.7852 3.7220 H 1 UNL1111 0.2991 76 H 7.4310 1.6360 -0.0267 H 1 UNL1111 0.2890 77 H 6.8318 0.2129 0.6218 H 1 UNL1111 0.2995 78 H 5.6300 3.3641 -0.4479 H 1 UNL1111 0.3019 79 H 4.2720 2.7827 -1.2567 H 1 UNL1111 0.3091 @BOND 1 1 21 1 2 1 23 1 3 2 23 1 4 2 27 1 5 3 20 1 6 3 30 1 7 4 30 1 8 4 34 1 9 5 22 1 10 5 59 1 11 6 25 1 12 6 60 1 13 7 26 1 14 7 62 1 15 8 28 1 16 8 63 1 17 9 32 1 18 9 66 1 19 10 33 1 20 10 67 1 21 11 36 2 22 12 37 1 23 12 71 1 24 13 24 1 25 13 38 2 26 14 29 1 27 14 40 2 28 15 31 1 29 15 39 1 30 15 61 1 31 16 38 1 32 16 72 1 33 16 73 1 34 17 38 1 35 17 74 1 36 17 75 1 37 18 40 1 38 18 76 1 39 18 77 1 40 19 40 1 41 19 78 1 42 19 79 1 43 20 22 1 44 20 23 1 45 20 41 1 46 21 24 1 47 21 25 1 48 21 42 1 49 22 27 1 50 22 36 1 51 23 43 1 52 24 26 1 53 24 44 1 54 25 28 1 55 25 45 1 56 26 29 1 57 26 46 1 58 27 35 1 59 27 47 1 60 28 29 1 61 28 48 1 62 29 49 1 63 30 31 1 64 30 50 1 65 31 32 1 66 31 51 1 67 32 33 1 68 32 52 1 69 33 34 1 70 33 53 1 71 34 37 1 72 34 54 1 73 35 55 1 74 35 56 1 75 35 57 1 76 36 58 1 77 37 64 1 78 37 65 1 79 39 68 1 80 39 69 1 81 39 70 1