REMARK Name = BDB061910 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.444 -1.361 -0.511 0.00 0.00 -0.294 N ATOM 2 H LIG 1 -0.534 -1.881 -1.377 0.00 0.00 +0.154 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 -1.575 -0.550 -0.283 0.00 0.00 +0.035 A ATOM 4 C LIG 1 -1.513 0.811 0.026 0.00 0.00 +0.061 A ATOM 5 C LIG 1 -2.683 1.536 0.244 0.00 0.00 +0.125 A ATOM 6 F LIG 1 -2.603 2.842 0.529 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -3.932 0.933 0.163 0.00 0.00 +0.038 A ATOM 8 C LIG 1 -4.014 -0.421 -0.144 0.00 0.00 +0.005 A ATOM 9 C LIG 1 -2.843 -1.153 -0.365 0.00 0.00 +0.023 A ENDBRANCH 1 3 BRANCH 1 13 ATOM 10 C LIG 1 3.027 1.369 0.078 0.00 0.00 +0.021 C ATOM 11 C LIG 1 2.988 -0.048 0.638 0.00 0.00 +0.072 C ATOM 12 S LIG 1 1.351 -0.414 1.308 0.00 0.00 -0.086 S ATOM 13 C LIG 1 0.864 -1.101 -0.228 0.00 0.00 +0.154 C ATOM 14 N LIG 1 1.817 -1.410 -1.050 0.00 0.00 -0.262 NA ATOM 15 C LIG 1 3.131 -1.113 -0.444 0.00 0.00 +0.158 C ENDBRANCH 1 13 TORSDOF 2