REMARK Name = LIG000654 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.026 -2.465 -0.577 0.00 0.00 +0.129 A ATOM 2 C LIG 1 -1.494 -2.719 0.732 0.00 0.00 +0.024 A ATOM 3 C LIG 1 -1.694 -4.055 1.125 0.00 0.00 +0.012 A ATOM 4 C LIG 1 -1.429 -5.111 0.252 0.00 0.00 +0.001 A ATOM 5 C LIG 1 -0.953 -4.848 -1.028 0.00 0.00 +0.004 A ATOM 6 C LIG 1 -0.747 -3.530 -1.441 0.00 0.00 +0.046 A ENDROOT BRANCH 2 7 ATOM 7 C LIG 1 -1.770 -1.639 1.696 0.00 0.00 -0.009 A ATOM 8 C LIG 1 -2.795 -0.714 1.521 0.00 0.00 -0.010 A ATOM 9 C LIG 1 -3.800 -0.592 0.420 0.00 0.00 +0.145 C ATOM 10 N LIG 1 -4.536 0.611 0.787 0.00 0.00 -0.282 N ATOM 11 C LIG 1 -4.153 1.105 2.021 0.00 0.00 +0.248 C ATOM 12 O LIG 1 -4.629 2.038 2.637 0.00 0.00 -0.270 OA ATOM 13 C LIG 1 -3.023 0.285 2.471 0.00 0.00 +0.042 A ATOM 14 C LIG 1 -2.269 0.420 3.620 0.00 0.00 +0.013 A ATOM 15 C LIG 1 -1.237 -0.494 3.815 0.00 0.00 +0.001 A ATOM 16 C LIG 1 -0.993 -1.508 2.867 0.00 0.00 +0.009 A BRANCH 10 17 ATOM 17 C LIG 1 -5.731 1.064 0.089 0.00 0.00 +0.163 C ATOM 18 C LIG 1 -6.913 0.097 0.265 0.00 0.00 +0.240 C ATOM 19 O LIG 1 -6.966 -0.795 1.110 0.00 0.00 -0.273 OA ATOM 20 N LIG 1 -7.966 0.291 -0.600 0.00 0.00 -0.255 N ATOM 21 H LIG 1 -8.742 -0.347 -0.485 0.00 0.00 +0.158 HD ATOM 22 C LIG 1 -7.933 0.960 -1.798 0.00 0.00 +0.219 C ATOM 23 O LIG 1 -8.848 0.849 -2.609 0.00 0.00 -0.275 OA ATOM 24 C LIG 1 -6.741 1.856 -2.042 0.00 0.00 +0.098 C ATOM 25 C LIG 1 -5.484 1.290 -1.399 0.00 0.00 +0.041 C ENDBRANCH 10 17 ENDBRANCH 2 7 BRANCH 1 26 ATOM 26 O LIG 1 -0.843 -1.147 -0.909 0.00 0.00 -0.482 OA BRANCH 26 27 ATOM 27 C LIG 1 -0.760 -0.823 -2.292 0.00 0.00 +0.326 C BRANCH 27 29 ATOM 28 O LIG 1 -2.169 1.077 -2.784 0.00 0.00 -0.270 OA ATOM 29 C LIG 1 -1.056 0.663 -2.450 0.00 0.00 +0.270 C ATOM 30 N LIG 1 -0.032 1.546 -2.199 0.00 0.00 -0.204 N ATOM 31 H LIG 1 -0.257 2.533 -2.259 0.00 0.00 +0.177 HD BRANCH 30 32 ATOM 32 N LIG 1 1.196 1.136 -1.787 0.00 0.00 -0.188 NA ATOM 33 C LIG 1 2.028 2.087 -1.500 0.00 0.00 +0.138 C BRANCH 33 34 ATOM 34 C LIG 1 3.393 1.804 -1.014 0.00 0.00 -0.005 A ATOM 35 C LIG 1 3.808 0.496 -0.761 0.00 0.00 +0.010 A ATOM 36 C LIG 1 5.104 0.254 -0.291 0.00 0.00 +0.010 A ATOM 37 C LIG 1 6.012 1.306 -0.068 0.00 0.00 +0.000 A ATOM 38 C LIG 1 5.560 2.615 -0.326 0.00 0.00 +0.010 A ATOM 39 C LIG 1 4.265 2.868 -0.794 0.00 0.00 +0.010 A BRANCH 37 40 ATOM 40 C LIG 1 7.385 1.070 0.429 0.00 0.00 +0.071 A ATOM 41 N LIG 1 7.907 2.058 1.204 0.00 0.00 -0.251 NA ATOM 42 C LIG 1 9.159 1.887 1.690 0.00 0.00 +0.156 A ATOM 43 C LIG 1 9.934 0.769 1.435 0.00 0.00 +0.135 A ATOM 44 C LIG 1 9.406 -0.231 0.638 0.00 0.00 +0.049 A ATOM 45 C LIG 1 8.117 -0.082 0.126 0.00 0.00 +0.032 A BRANCH 43 46 ATOM 46 O LIG 1 11.192 0.606 1.928 0.00 0.00 -0.505 OA ATOM 47 H LIG 1 11.423 1.377 2.473 0.00 0.00 +0.292 HD ENDBRANCH 43 46 ENDBRANCH 37 40 ENDBRANCH 33 34 ENDBRANCH 30 32 ENDBRANCH 27 29 ENDBRANCH 26 27 ENDBRANCH 1 26 TORSDOF 9