REMARK Name = BDB017626 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 2.223 -1.294 -0.749 0.00 0.00 -0.323 N ATOM 2 C LIG 1 1.823 -2.659 -0.354 0.00 0.00 +0.120 C ATOM 3 C LIG 1 0.975 -2.665 0.941 0.00 0.00 +0.103 C ATOM 4 N LIG 1 -0.196 -1.753 0.931 0.00 0.00 -0.295 NA ATOM 5 C LIG 1 0.271 -0.402 0.535 0.00 0.00 +0.103 C ATOM 6 C LIG 1 1.093 -0.336 -0.777 0.00 0.00 +0.120 C ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 6.058 0.314 0.183 0.00 0.00 +0.042 A ATOM 8 C LIG 1 5.572 -0.782 0.894 0.00 0.00 +0.053 A ATOM 9 C LIG 1 4.316 -1.316 0.594 0.00 0.00 +0.148 A ATOM 10 F LIG 1 3.924 -2.368 1.330 0.00 0.00 -0.203 F ATOM 11 C LIG 1 3.479 -0.778 -0.403 0.00 0.00 +0.101 A ATOM 12 C LIG 1 4.013 0.332 -1.094 0.00 0.00 +0.148 A ATOM 13 F LIG 1 3.323 0.894 -2.101 0.00 0.00 -0.203 F ATOM 14 C LIG 1 5.267 0.880 -0.812 0.00 0.00 +0.053 A BRANCH 7 17 ATOM 15 N LIG 1 8.073 1.524 -0.465 0.00 0.00 -0.312 N ATOM 16 H LIG 1 7.781 1.369 -1.421 0.00 0.00 +0.149 HD ATOM 17 C LIG 1 7.398 0.854 0.536 0.00 0.00 +0.244 C ATOM 18 O LIG 1 7.854 0.666 1.657 0.00 0.00 -0.270 OA BRANCH 15 20 ATOM 19 C LIG 1 9.863 2.976 -1.296 0.00 0.00 +0.024 C ATOM 20 C LIG 1 9.441 1.957 -0.256 0.00 0.00 +0.101 C ENDBRANCH 15 20 ENDBRANCH 7 17 ENDBRANCH 1 11 BRANCH 4 21 ATOM 21 C LIG 1 -1.262 -2.268 0.057 0.00 0.00 +0.119 C BRANCH 21 22 ATOM 22 C LIG 1 -2.564 -1.506 0.194 0.00 0.00 -0.031 A ATOM 23 C LIG 1 -3.178 -0.930 -0.925 0.00 0.00 +0.031 A ATOM 24 C LIG 1 -4.386 -0.239 -0.787 0.00 0.00 +0.051 A ATOM 25 C LIG 1 -5.008 -0.090 0.462 0.00 0.00 +0.020 A ATOM 26 C LIG 1 -6.277 0.672 0.539 0.00 0.00 +0.045 A ATOM 27 N LIG 1 -6.862 0.909 1.782 0.00 0.00 -0.343 N ATOM 28 H LIG 1 -6.186 0.960 2.539 0.00 0.00 +0.146 HD ATOM 29 C LIG 1 -7.948 1.872 1.924 0.00 0.00 +0.102 C ATOM 30 C LIG 1 -8.901 1.738 0.743 0.00 0.00 +0.023 C ATOM 31 C LIG 1 -8.147 1.886 -0.583 0.00 0.00 +0.044 C ATOM 32 C LIG 1 -6.841 1.136 -0.595 0.00 0.00 +0.038 A ATOM 33 C LIG 1 -6.187 0.952 -1.917 0.00 0.00 +0.254 A ATOM 34 O LIG 1 -6.684 1.382 -2.954 0.00 0.00 -0.268 OA ATOM 35 C LIG 1 -4.400 -0.693 1.572 0.00 0.00 +0.012 A ATOM 36 N LIG 1 -4.990 0.296 -1.929 0.00 0.00 -0.322 N ATOM 37 H LIG 1 -4.563 0.182 -2.838 0.00 0.00 +0.169 HD ATOM 38 C LIG 1 -3.193 -1.389 1.440 0.00 0.00 +0.005 A ENDBRANCH 21 22 ENDBRANCH 4 21 TORSDOF 5