REMARK Name = BDB017698 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -6.295 0.963 -2.969 0.00 0.00 -0.268 OA ATOM 2 C LIG 1 -5.603 0.764 -1.975 0.00 0.00 +0.254 A ATOM 3 C LIG 1 -6.190 0.286 -0.693 0.00 0.00 +0.038 A ATOM 4 C LIG 1 -7.659 -0.042 -0.691 0.00 0.00 +0.044 C ATOM 5 C LIG 1 -8.025 -1.013 0.437 0.00 0.00 +0.023 C ATOM 6 C LIG 1 -7.405 -0.570 1.756 0.00 0.00 +0.102 C ATOM 7 N LIG 1 -5.971 -0.364 1.595 0.00 0.00 -0.343 N ATOM 8 H LIG 1 -5.389 -1.054 2.062 0.00 0.00 +0.146 HD ATOM 9 C LIG 1 -5.426 0.097 0.401 0.00 0.00 +0.045 A ATOM 10 C LIG 1 -3.972 0.370 0.332 0.00 0.00 +0.020 A ATOM 11 C LIG 1 -3.421 0.782 -0.890 0.00 0.00 +0.051 A ATOM 12 C LIG 1 -2.055 1.044 -1.020 0.00 0.00 +0.031 A ATOM 13 C LIG 1 -1.199 0.901 0.081 0.00 0.00 -0.031 A ATOM 14 C LIG 1 -1.746 0.520 1.313 0.00 0.00 +0.005 A ATOM 15 C LIG 1 -3.116 0.258 1.436 0.00 0.00 +0.012 A ATOM 16 N LIG 1 -4.252 0.958 -2.001 0.00 0.00 -0.322 N ATOM 17 H LIG 1 -3.868 1.275 -2.880 0.00 0.00 +0.169 HD ENDROOT BRANCH 13 18 ATOM 18 C LIG 1 0.280 1.206 -0.043 0.00 0.00 +0.119 C BRANCH 18 19 ATOM 19 N LIG 1 0.917 0.549 -1.195 0.00 0.00 -0.295 NA ATOM 20 C LIG 1 2.252 1.156 -1.442 0.00 0.00 +0.103 C ATOM 21 C LIG 1 3.252 0.189 -2.109 0.00 0.00 +0.122 C ATOM 22 N LIG 1 3.525 -0.982 -1.243 0.00 0.00 -0.313 N ATOM 23 C LIG 1 2.362 -1.417 -0.433 0.00 0.00 +0.122 C ATOM 24 C LIG 1 1.026 -0.921 -1.032 0.00 0.00 +0.103 C BRANCH 22 25 ATOM 25 C LIG 1 4.679 -0.846 -0.441 0.00 0.00 +0.125 A ATOM 26 N LIG 1 5.236 0.372 -0.257 0.00 0.00 -0.198 NA ATOM 27 C LIG 1 6.327 0.405 0.516 0.00 0.00 +0.220 A ATOM 28 O LIG 1 6.969 1.605 0.781 0.00 0.00 -0.476 OA ATOM 29 C LIG 1 8.226 1.180 1.351 0.00 0.00 +0.235 C ATOM 30 C LIG 1 8.061 -0.221 1.944 0.00 0.00 +0.081 C ATOM 31 C LIG 1 6.916 -0.675 1.134 0.00 0.00 +0.017 A ATOM 32 C LIG 1 6.359 -1.919 0.964 0.00 0.00 +0.012 A ATOM 33 C LIG 1 5.224 -2.002 0.155 0.00 0.00 +0.044 A ENDBRANCH 22 25 ENDBRANCH 18 19 ENDBRANCH 13 18 TORSDOF 3