REMARK Name = BDB011556 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.706 -0.325 -0.649 0.00 0.00 +0.197 C ATOM 2 C LIG 1 -0.148 0.048 0.566 0.00 0.00 +0.244 C ATOM 3 O LIG 1 0.112 1.023 1.277 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 -1.329 -0.693 0.714 0.00 0.00 -0.262 N ATOM 5 C LIG 1 -1.228 -2.037 1.255 0.00 0.00 +0.079 A ATOM 6 C LIG 1 -2.305 -2.627 1.942 0.00 0.00 +0.027 A ATOM 7 C LIG 1 -2.204 -3.888 2.538 0.00 0.00 +0.003 A ATOM 8 C LIG 1 -1.015 -4.600 2.469 0.00 0.00 +0.016 A ATOM 9 C LIG 1 0.081 -4.070 1.780 0.00 0.00 +0.098 A ATOM 10 C LIG 1 -0.042 -2.811 1.153 0.00 0.00 +0.154 A ATOM 11 O LIG 1 1.078 -2.428 0.457 0.00 0.00 -0.487 OA ATOM 12 C LIG 1 0.782 -1.832 -0.808 0.00 0.00 +0.261 C ENDROOT BRANCH 1 14 ATOM 13 C LIG 1 2.933 0.388 -1.520 0.00 0.00 +0.230 C ATOM 14 N LIG 1 2.020 0.291 -0.498 0.00 0.00 -0.300 N ATOM 15 H LIG 1 2.327 0.596 0.425 0.00 0.00 +0.150 HD ATOM 16 O LIG 1 2.698 -0.015 -2.656 0.00 0.00 -0.274 OA BRANCH 13 17 ATOM 17 C LIG 1 4.243 1.104 -1.106 0.00 0.00 +0.137 C ATOM 18 C LIG 1 5.365 0.755 -2.082 0.00 0.00 +0.034 C BRANCH 17 20 ATOM 19 C LIG 1 5.563 1.611 0.889 0.00 0.00 +0.101 C ATOM 20 N LIG 1 4.565 0.736 0.295 0.00 0.00 -0.309 NA ATOM 21 H LIG 1 4.897 -0.230 0.316 0.00 0.00 +0.122 HD ENDBRANCH 17 20 ENDBRANCH 13 17 ENDBRANCH 1 14 BRANCH 9 22 ATOM 22 C LIG 1 1.367 -4.854 1.687 0.00 0.00 +0.421 C ATOM 23 F LIG 1 2.441 -4.197 2.208 0.00 0.00 -0.166 F ATOM 24 F LIG 1 1.313 -6.042 2.361 0.00 0.00 -0.166 F ATOM 25 F LIG 1 1.699 -5.185 0.408 0.00 0.00 -0.166 F ENDBRANCH 9 22 BRANCH 4 26 ATOM 26 C LIG 1 -2.518 0.132 0.957 0.00 0.00 +0.149 C BRANCH 26 27 ATOM 27 C LIG 1 -2.874 0.997 -0.258 0.00 0.00 -0.019 A ATOM 28 C LIG 1 -2.715 2.424 -0.235 0.00 0.00 -0.013 A ATOM 29 C LIG 1 -3.075 3.169 -1.388 0.00 0.00 -0.018 A ATOM 30 C LIG 1 -2.945 4.568 -1.410 0.00 0.00 +0.008 A ATOM 31 C LIG 1 -2.455 5.263 -0.308 0.00 0.00 +0.001 A ATOM 32 C LIG 1 -2.086 4.562 0.828 0.00 0.00 +0.001 A ATOM 33 C LIG 1 -3.561 2.516 -2.524 0.00 0.00 +0.009 A ATOM 34 C LIG 1 -3.708 1.134 -2.546 0.00 0.00 +0.004 A ATOM 35 C LIG 1 -2.214 3.169 0.863 0.00 0.00 +0.009 A ATOM 36 C LIG 1 -3.382 0.362 -1.427 0.00 0.00 -0.045 A ATOM 37 C LIG 1 -3.568 -1.131 -1.530 0.00 0.00 +0.044 C ENDBRANCH 26 27 ENDBRANCH 4 26 TORSDOF 6