REMARK Name = BDB000656 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.471 -0.373 0.602 0.00 0.00 +0.233 C ATOM 2 O LIG 1 -0.032 -1.116 1.470 0.00 0.00 -0.283 OA ENDROOT BRANCH 1 8 ATOM 3 C LIG 1 -6.168 0.362 -0.074 0.00 0.00 +0.044 C ATOM 4 C LIG 1 -4.695 0.158 0.137 0.00 0.00 -0.050 A ATOM 5 C LIG 1 -4.078 -1.025 -0.285 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -2.697 -1.216 -0.131 0.00 0.00 -0.039 A ATOM 7 C LIG 1 -2.076 -2.503 -0.598 0.00 0.00 +0.044 C ATOM 8 C LIG 1 -1.929 -0.182 0.443 0.00 0.00 +0.031 A ATOM 9 C LIG 1 -2.534 1.010 0.887 0.00 0.00 -0.039 A ATOM 10 C LIG 1 -1.747 2.124 1.518 0.00 0.00 +0.044 C ATOM 11 C LIG 1 -3.916 1.172 0.706 0.00 0.00 +0.007 A ENDBRANCH 1 8 BRANCH 1 12 ATOM 12 C LIG 1 0.467 0.364 -0.346 0.00 0.00 +0.233 C ATOM 13 O LIG 1 0.028 1.107 -1.213 0.00 0.00 -0.283 OA BRANCH 12 14 ATOM 14 C LIG 1 1.926 0.173 -0.186 0.00 0.00 +0.031 A ATOM 15 C LIG 1 2.530 -1.022 -0.623 0.00 0.00 -0.039 A ATOM 16 C LIG 1 1.744 -2.138 -1.252 0.00 0.00 +0.044 C ATOM 17 C LIG 1 3.913 -1.182 -0.444 0.00 0.00 +0.007 A ATOM 18 C LIG 1 4.689 -0.173 0.137 0.00 0.00 -0.050 A ATOM 19 C LIG 1 6.173 -0.348 0.284 0.00 0.00 +0.044 C ATOM 20 C LIG 1 4.077 1.025 0.523 0.00 0.00 +0.007 A ATOM 21 C LIG 1 2.695 1.214 0.371 0.00 0.00 -0.039 A ATOM 22 C LIG 1 2.078 2.511 0.814 0.00 0.00 +0.044 C ENDBRANCH 12 14 ENDBRANCH 1 12 TORSDOF 3