REMARK Name = BDB032178 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.503 1.539 -1.703 0.00 0.00 +0.126 A ATOM 2 C LIG 1 -2.373 0.765 -0.957 0.00 0.00 +0.024 A ATOM 3 C LIG 1 -3.749 1.084 -0.476 0.00 0.00 +0.148 C ATOM 4 N LIG 1 -4.093 -0.094 0.314 0.00 0.00 -0.281 N ATOM 5 C LIG 1 -3.127 -1.084 0.217 0.00 0.00 +0.248 C ATOM 6 O LIG 1 -3.158 -2.210 0.674 0.00 0.00 -0.270 OA ATOM 7 C LIG 1 -2.017 -0.520 -0.557 0.00 0.00 +0.045 A ATOM 8 C LIG 1 -0.803 -1.096 -0.877 0.00 0.00 +0.020 A ATOM 9 C LIG 1 0.093 -0.335 -1.639 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.260 0.981 -2.036 0.00 0.00 +0.053 A ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -5.441 -0.375 0.790 0.00 0.00 +0.163 C ATOM 12 C LIG 1 -6.408 -0.697 -0.362 0.00 0.00 +0.240 C ATOM 13 O LIG 1 -6.061 -0.933 -1.517 0.00 0.00 -0.273 OA ATOM 14 N LIG 1 -7.742 -0.707 -0.024 0.00 0.00 -0.255 N ATOM 15 H LIG 1 -8.373 -0.904 -0.790 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 -8.311 -0.038 1.030 0.00 0.00 +0.219 C ATOM 17 O LIG 1 -9.516 0.197 1.056 0.00 0.00 -0.275 OA ATOM 18 C LIG 1 -7.385 0.367 2.153 0.00 0.00 +0.098 C ATOM 19 C LIG 1 -6.018 0.769 1.619 0.00 0.00 +0.041 C ENDBRANCH 4 11 BRANCH 1 21 ATOM 20 C LIG 1 -1.093 3.576 -2.851 0.00 0.00 +0.277 C ATOM 21 O LIG 1 -1.948 2.784 -2.035 0.00 0.00 -0.495 OA ENDBRANCH 1 21 BRANCH 9 22 ATOM 22 C LIG 1 1.447 -0.896 -1.996 0.00 0.00 +0.269 C BRANCH 22 23 ATOM 23 O LIG 1 2.332 -0.596 -0.915 0.00 0.00 -0.445 OA BRANCH 23 24 ATOM 24 C LIG 1 3.611 -1.003 -1.126 0.00 0.00 +0.405 C ATOM 25 N LIG 1 4.342 -0.679 -0.018 0.00 0.00 -0.251 N ATOM 26 H LIG 1 3.792 -0.227 0.700 0.00 0.00 +0.158 HD ATOM 27 O LIG 1 3.991 -1.559 -2.143 0.00 0.00 -0.226 OA BRANCH 25 28 ATOM 28 C LIG 1 5.711 -0.893 0.221 0.00 0.00 +0.041 A ATOM 29 C LIG 1 6.216 -0.475 1.464 0.00 0.00 +0.069 A ATOM 30 C LIG 1 7.568 -0.647 1.780 0.00 0.00 +0.130 A ATOM 31 C LIG 1 8.423 -1.219 0.839 0.00 0.00 +0.066 A ATOM 32 C LIG 1 7.925 -1.637 -0.392 0.00 0.00 +0.046 A ATOM 33 CL LIG 1 8.991 -2.353 -1.539 0.00 0.00 -0.083 Cl ATOM 34 C LIG 1 6.575 -1.481 -0.704 0.00 0.00 +0.043 A BRANCH 30 35 ATOM 35 O LIG 1 8.172 -0.273 2.948 0.00 0.00 -0.434 OA BRANCH 35 36 ATOM 36 C LIG 1 7.325 -0.057 4.065 0.00 0.00 +0.541 C ATOM 37 F LIG 1 8.121 0.112 5.151 0.00 0.00 -0.166 F ATOM 38 F LIG 1 6.650 1.106 3.894 0.00 0.00 -0.166 F ENDBRANCH 35 36 ENDBRANCH 30 35 ENDBRANCH 25 28 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 9 22 TORSDOF 8