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© September 2007; August 2010 Lorentz JÄNTSCHI && Sorana Daniela BOLBOACĂ

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forcefield mm+
sys 0 0 1
view 40 0.094178 64.75 24.75 -0.8107787 0.2219485 -0.5416426 0.4666699 0.8036702 -0.3692336 0.3533511 -0.5521351 -0.7551754 4.1119 -1.9698 -65.511
seed 0
mol 1
atom 1 - C ** - 0.009038448 2.9347 0.2298 -0.0406 3 2 d 6 s 36 s
atom 2 - C ** - -0.2225618 2.528699 1.5023 -0.716 3 1 d 3 s 16 s
atom 3 - C ** - 0.1163337 3.7211 2.3599 -0.8785 4 2 s 4 s 25 s 26 s
atom 4 - C ** - 0.1147943 5.282 1.0879 -1.9479 4 3 s 5 s 7 s 8 s
atom 5 - C ** - -0.09649372 5.1051 -0.8148 -1.9725 2 4 s 6 s
atom 6 - C ** - 0.1820869 4.0145 -1.1359 -0.7105 3 1 s 5 s 17 s
atom 7 - O ** - -0.3278713 6.665 1.516 -1.6449 1 4 s
atom 8 - C ** - 0.07202864 5.0001 1.3449 -3.4311 3 4 s 9 s 32 s
atom 9 - C ** - -0.0848155 5.1522 2.9141 -3.6309 3 8 s 10 s 14 s
atom 10 - C ** - 0.06622887 6.6061 3.0839 -4.5207 4 9 s 11 s 28 s 54 s
atom 11 - C ** - 0.03363037 6.0789 4.6885 -4.8829 3 10 s 12 s 27 s
atom 12 - C ** - -0.05975628 4.6761 5.6418 -3.3944 2 11 s 13 s
atom 13 - C ** - -0.05071926 3.1248 5.3339 -3.5067 3 12 s 14 s 33 s
atom 14 - C ** - 0.1311979 3.1475 3.881 -4.155999 4 9 s 13 s 15 s 58 s
atom 15 - C ** - 0.1836104 1.4092 3.0669 -3.0189 3 14 s 16 s 34 d
atom 16 - C ** - 0.1443496 1.1594 2.309 -1.0791 3 2 s 15 s 35 s
atom 17 - O ** - -0.3259702 4.7291 -1.839 0.4276 2 6 s 18 s
atom 18 - C ** - 0.3490424 4.0442 -2.9381 1.266 3 17 s 19 s 37 d
atom 19 - C ** - 0.08969235 3.9797 -2.8781 2.8588 3 18 s 20 s 38 s
atom 20 - C ** - 0.09540677 2.4285 -3.4285 3.4857 3 19 s 21 s 22 s
atom 21 - C ** - -0.1073952 2.5091 -3.8205 5.086 3 20 s 40 d 44 s
atom 22 - N ** - -0.1517344 1.3466 -2.219 3.6168 2 20 s 23 s
atom 23 - C ** - 0.2378347 -0.0915 -2.4636 3.4831 3 22 s 24 s 39 d
atom 24 - C ** - -0.09146881 -1.3482 -1.5662 3.9379 2 23 s 53 s
atom 25 - C ** - -0.1954455 3.1288 3.6401 0.9355 1 3 s
atom 26 - C ** - -0.2193184 3.498 3.6614 -1.4362 1 3 s
atom 27 - O ** - -0.2976618 7.5865 5.1651 -4.7358 2 11 s 54 s
atom 28 - O ** - -0.3860474 7.033 1.6761 -5.7396 2 10 s 29 s
atom 29 - C ** - 0.3135715 6.5217 -0.0252 -6.3907 3 28 s 30 s 31 d
atom 30 - C ** - 0.01619196 6.8913 -1.8488 -6.4125 1 29 s
atom 31 - O ** - -0.2658367 5.5801 0.0906 -7.145 1 29 d
atom 32 - O ** - -0.30653 3.6529 0.8104 -3.1124 2 8 s 45 s
atom 33 - O ** - -0.3295913 2.3693 6.3928 -4.2423 1 13 s
atom 34 - O ** - -0.2820215 0.3042 3.1006 -3.5244 1 15 d
atom 35 - O ** - -0.3532152 0.0114 1.3411 -0.8336 1 16 s
atom 36 - C ** - -0.08530998 2.3877 0.0876 1.5295 1 1 s
atom 37 - O ** - -0.2906957 3.6228 -3.9432 0.7086 1 18 d
atom 38 - O ** - -0.2931261 5.0603 -3.7245 3.3411 1 19 s
atom 39 - O ** - -0.3756762 -0.4002 -3.49 2.9107 1 23 d
atom 40 - C ** - -0.09321022 1.3888 -4.4474 5.7319 2 21 d 41 s
atom 41 - C ** - -0.1050267 1.2633 -4.4428 7.1598 2 40 s 42 d
atom 42 - C ** - -0.1013303 2.3967 -4.183099 7.9809 2 41 d 43 s
atom 43 - C ** - -0.1026435 3.6332 -3.931 7.3423 2 42 s 44 d
atom 44 - C ** - -0.09840918 3.6664 -3.5752 5.9705 2 21 s 43 d
atom 45 - C ** - 0.4544835 2.5014 0.6767 -3.7398 3 32 s 46 s 52 d
atom 46 - C ** - -0.1096306 1.3043 -0.2843 -3.4233 3 45 s 47 d 51 s
atom 47 - C ** - -0.0972867 0.9523 -0.8651 -4.899599 2 46 d 48 s
atom 48 - C ** - -0.1273518 0.2441 -2.1348 -5.3288 2 47 s 49 d
atom 49 - C ** - -0.08754063 -0.4193 -2.6982 -4.2909 2 48 d 50 s
atom 50 - C ** - -0.161541 -0.6684 -1.9045 -3.2253 2 49 s 51 d
atom 51 - C ** - 0.009764433 0.2545 -0.9453 -2.5135 2 46 s 50 d
atom 52 - O ** - -0.4100127 2.4713 1.332 -4.7448 1 45 d
atom 53 - C ** - -0.05468035 -2.8045 -2.0308 3.0393 2 24 s 55 s
atom 54 - C ** - 0.1373954 8.0504 4.0087 -3.7884 2 10 s 27 s
atom 55 - C ** - -0.13658 -3.9739 -1.3868 3.908 2 53 s 56 s
atom 56 - C ** - -0.07934284 -5.3849 -1.1323 3.1591 2 55 s 57 s
atom 57 - C ** - -0.1289759 -5.9041 -0.0918 4.436 1 56 s
atom 58 - C ** - -0.0793519 3.1108 4.8011 -5.9128 1 14 s
endmol 1