REMARK Name = BDB009341 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.187 -0.059 0.820 0.00 0.00 +0.070 A ATOM 2 C LIG 1 1.395 -1.388 0.441 0.00 0.00 +0.145 A ATOM 3 F LIG 1 2.556 -1.805 -0.080 0.00 0.00 -0.204 F ATOM 4 C LIG 1 0.381 -2.341 0.547 0.00 0.00 +0.040 A ATOM 5 C LIG 1 -0.876 -1.980 1.024 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -1.137 -0.653 1.378 0.00 0.00 -0.040 A ATOM 7 C LIG 1 -0.097 0.289 1.282 0.00 0.00 +0.030 A ENDROOT BRANCH 1 11 ATOM 8 N LIG 1 4.205 0.006 0.417 0.00 0.00 -0.294 N ATOM 9 H LIG 1 3.699 -0.794 0.072 0.00 0.00 +0.151 HD ATOM 10 C LIG 1 3.456 1.121 0.568 0.00 0.00 +0.304 C ATOM 11 N LIG 1 2.119 0.999 0.773 0.00 0.00 -0.267 N ATOM 12 H LIG 1 1.751 1.919 0.983 0.00 0.00 +0.156 HD ATOM 13 O LIG 1 3.924 2.259 0.587 0.00 0.00 -0.252 OA BRANCH 8 15 ATOM 14 C LIG 1 6.431 0.679 1.297 0.00 0.00 +0.031 C ATOM 15 C LIG 1 5.654 -0.015 0.165 0.00 0.00 +0.028 C ATOM 16 C LIG 1 5.984 0.643 -1.183 0.00 0.00 +0.031 C ATOM 17 C LIG 1 6.102 -1.488 0.116 0.00 0.00 +0.031 C ENDBRANCH 8 15 ENDBRANCH 1 11 BRANCH 6 18 ATOM 18 C LIG 1 -2.492 -0.239 1.912 0.00 0.00 +0.092 C BRANCH 18 19 ATOM 19 C LIG 1 -3.662 -0.714 1.054 0.00 0.00 +0.069 A ATOM 20 C LIG 1 -4.079 0.089 -0.139 0.00 0.00 -0.016 A ATOM 21 C LIG 1 -3.345 1.343 -0.522 0.00 0.00 +0.037 C ATOM 22 C LIG 1 -3.704 1.858 -1.919 0.00 0.00 +0.005 C ATOM 23 C LIG 1 -5.205 1.781 -2.167 0.00 0.00 +0.005 C ATOM 24 C LIG 1 -5.709 0.343 -2.030 0.00 0.00 +0.041 C ATOM 25 C LIG 1 -5.134 -0.368 -0.836 0.00 0.00 +0.023 A ATOM 26 C LIG 1 -5.805 -1.629 -0.431 0.00 0.00 +0.268 A ATOM 27 O LIG 1 -6.758 -2.084 -1.055 0.00 0.00 -0.266 OA ATOM 28 N LIG 1 -5.293 -2.250 0.675 0.00 0.00 -0.243 N ATOM 29 H LIG 1 -5.741 -3.111 0.971 0.00 0.00 +0.192 HD ATOM 30 N LIG 1 -4.245 -1.816 1.424 0.00 0.00 -0.175 NA ENDBRANCH 18 19 ENDBRANCH 6 18 TORSDOF 4