REMARK Name = BDB054939 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.704 -1.100 0.094 0.00 0.00 +0.090 C ATOM 2 C LIG 1 -1.288 -0.547 0.362 0.00 0.00 -0.027 A ATOM 3 C LIG 1 -1.089 0.291 1.478 0.00 0.00 +0.006 A ATOM 4 C LIG 1 0.164 0.818 1.778 0.00 0.00 +0.012 A ATOM 5 C LIG 1 1.259 0.507 0.977 0.00 0.00 +0.029 A ATOM 6 C LIG 1 2.574 1.039 1.254 0.00 0.00 +0.147 A ATOM 7 C LIG 1 3.718 0.864 0.524 0.00 0.00 +0.074 A ATOM 8 C LIG 1 4.736 1.611 1.177 0.00 0.00 -0.001 A ATOM 9 C LIG 1 4.113 2.182 2.273 0.00 0.00 +0.199 A ATOM 10 C LIG 1 6.155 1.747 0.770 0.00 0.00 +0.048 C ATOM 11 C LIG 1 3.669 0.042 -0.658 0.00 0.00 +0.237 C ATOM 12 O LIG 1 4.623 -0.080 -1.415 0.00 0.00 -0.283 OA ATOM 13 C LIG 1 2.344 -0.701 -0.943 0.00 0.00 +0.234 C ATOM 14 O LIG 1 2.349 -1.603 -1.771 0.00 0.00 -0.283 OA ATOM 15 O LIG 1 2.795 1.838 2.324 0.00 0.00 -0.462 OA ATOM 16 C LIG 1 1.101 -0.332 -0.153 0.00 0.00 +0.040 A ATOM 17 C LIG 1 -0.189 -0.828 -0.493 0.00 0.00 -0.032 A ATOM 18 C LIG 1 -0.393 -1.659 -1.744 0.00 0.00 +0.036 C ATOM 19 C LIG 1 -1.843 -1.774 -2.195 0.00 0.00 +0.006 C ATOM 20 C LIG 1 -2.722 -2.167 -1.023 0.00 0.00 +0.023 C ATOM 21 C LIG 1 -3.249 -1.787 1.372 0.00 0.00 +0.028 C ENDROOT BRANCH 1 22 ATOM 22 C LIG 1 -3.700 0.010 -0.301 0.00 0.00 +0.317 C ATOM 23 O LIG 1 -4.899 -0.018 -0.045 0.00 0.00 -0.250 OA BRANCH 22 25 ATOM 24 C LIG 1 -3.982 2.051 -1.425 0.00 0.00 +0.280 C ATOM 25 O LIG 1 -3.099 1.009 -1.010 0.00 0.00 -0.467 OA ENDBRANCH 22 25 ENDBRANCH 1 22 TORSDOF 2