@MOLECULE ammonia; cadmium 25 18 0 0 0 SMALL USER_CHARGES @ATOM 1 CD 0.0565 0.0840 -0.0661 Cd 1 UNL11111111 -0.3491 2 N 2.9600 0.1526 -0.3672 N.3 2 UNL22222222 -0.6582 3 N -0.4062 2.5429 -1.3944 N.3 3 UNL33333333 -0.6762 4 N -3.1163 -0.2319 0.4358 N.3 4 UNL44444444 -0.6723 5 N 0.3799 -2.6950 1.5672 N.3 5 UNL55555555 -0.6987 6 N -0.3545 -1.7023 -2.5065 N.3 6 UNL66666666 -0.6861 7 H -0.6395 -0.7787 -2.7529 H 6 UNL66666666 0.2471 8 H -0.9299 -2.0940 -1.7936 H 6 UNL66666666 0.2475 9 H 1.0099 -2.0105 1.9210 H 5 UNL55555555 0.2428 10 H 0.5240 -2.8431 0.5929 H 5 UNL55555555 0.2432 11 H -2.7218 0.6474 0.6956 H 4 UNL44444444 0.2331 12 H -2.7931 -0.4703 -0.4746 H 4 UNL44444444 0.2333 13 H -1.2071 2.4340 -0.8126 H 3 UNL33333333 0.2563 14 H -0.3870 1.8945 -2.1564 H 3 UNL33333333 0.2588 15 H 2.6404 0.9871 0.0801 H 2 UNL22222222 0.2439 16 H 2.4921 0.0070 -1.2367 H 2 UNL22222222 0.2448 17 N 0.1592 1.3780 2.6973 N.3 7 UNL77777777 -0.7018 18 H 1.1096 1.2243 2.4370 H 7 UNL77777777 0.2529 19 H -0.3471 0.5357 2.8534 H 7 UNL77777777 0.2524 20 H 2.8625 -0.6413 0.2375 H 2 UNL22222222 0.2484 21 H 0.4487 2.5890 -0.8811 H 3 UNL33333333 0.2568 22 H -2.8445 -0.9356 1.0894 H 4 UNL44444444 0.2404 23 H -0.5664 -2.4526 1.7561 H 5 UNL55555555 0.2439 24 H 0.6105 -1.7335 -2.2580 H 6 UNL66666666 0.2463 25 H -0.3120 1.9918 2.0730 H 7 UNL77777777 0.2506 @BOND 1 7 6 1 2 6 24 1 3 6 8 1 4 14 3 1 5 3 21 1 6 3 13 1 7 16 2 1 8 12 4 1 9 2 15 1 10 2 20 1 11 4 11 1 12 4 22 1 13 10 5 1 14 5 23 1 15 5 9 1 16 25 17 1 17 18 17 1 18 17 19 1