REMARK Name = BDB059004 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.371 -0.366 2.051 0.00 0.00 -0.293 N ATOM 2 C LIG 1 0.478 0.703 2.018 0.00 0.00 +0.247 C ATOM 3 O LIG 1 0.743 1.817 2.461 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -0.866 0.448 1.415 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -1.700 1.542 1.152 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -2.979 1.351 0.618 0.00 0.00 -0.026 A ATOM 7 C LIG 1 -3.408 0.043 0.349 0.00 0.00 +0.014 A ATOM 8 C LIG 1 -2.585 -1.072 0.599 0.00 0.00 -0.013 A ATOM 9 C LIG 1 -1.293 -0.863 1.127 0.00 0.00 -0.026 A ATOM 10 C LIG 1 -0.364 -2.008 1.450 0.00 0.00 +0.055 C ATOM 11 C LIG 1 1.087 -1.573 1.289 0.00 0.00 +0.113 C ENDROOT BRANCH 8 12 ATOM 12 C LIG 1 -3.109 -2.415 0.301 0.00 0.00 -0.015 A ATOM 13 C LIG 1 -3.015 -2.988 -0.990 0.00 0.00 -0.040 A ATOM 14 C LIG 1 -2.367 -2.253 -2.134 0.00 0.00 +0.044 C ATOM 15 C LIG 1 -3.542 -4.271 -1.214 0.00 0.00 +0.042 A ATOM 16 C LIG 1 -4.146 -4.971 -0.176 0.00 0.00 +0.124 A ATOM 17 F LIG 1 -4.642 -6.194 -0.407 0.00 0.00 -0.205 F ATOM 18 C LIG 1 -4.244 -4.424 1.095 0.00 0.00 +0.039 A ATOM 19 C LIG 1 -3.728 -3.150 1.331 0.00 0.00 +0.011 A ENDBRANCH 8 12 BRANCH 1 20 ATOM 20 C LIG 1 2.750 -0.119 2.459 0.00 0.00 +0.143 C BRANCH 20 25 ATOM 21 C LIG 1 4.425 1.681 -0.457 0.00 0.00 +0.124 A ATOM 22 C LIG 1 5.302 0.693 -0.919 0.00 0.00 +0.091 A ATOM 23 C LIG 1 5.364 -0.552 -0.293 0.00 0.00 +0.124 A ATOM 24 C LIG 1 4.540 -0.807 0.805 0.00 0.00 +0.051 A ATOM 25 C LIG 1 3.659 0.171 1.287 0.00 0.00 -0.023 A ATOM 26 C LIG 1 3.611 1.418 0.645 0.00 0.00 +0.051 A BRANCH 21 28 ATOM 27 C LIG 1 3.546 3.868 -0.765 0.00 0.00 +0.277 C ATOM 28 O LIG 1 4.459 2.852 -1.166 0.00 0.00 -0.495 OA ENDBRANCH 21 28 BRANCH 23 29 ATOM 29 O LIG 1 6.172 -1.597 -0.653 0.00 0.00 -0.495 OA ATOM 30 C LIG 1 7.058 -1.373 -1.744 0.00 0.00 +0.277 C ENDBRANCH 23 29 ENDBRANCH 20 25 ENDBRANCH 1 20 BRANCH 6 31 ATOM 31 C LIG 1 -3.864 2.536 0.304 0.00 0.00 +0.161 C BRANCH 31 32 ATOM 32 N LIG 1 -3.632 3.014 -1.040 0.00 0.00 -0.295 N ATOM 33 C LIG 1 -2.753 4.020 -1.353 0.00 0.00 +0.296 A ATOM 34 N LIG 1 -2.042 4.760 -0.581 0.00 0.00 -0.250 NA ATOM 35 H LIG 1 -1.516 5.394 -1.192 0.00 0.00 +0.191 HD ATOM 36 O LIG 1 -2.686 4.203 -2.727 0.00 0.00 -0.431 OA ATOM 37 C LIG 1 -3.578 3.220 -3.176 0.00 0.00 +0.217 A ATOM 38 C LIG 1 -4.138 2.513 -2.201 0.00 0.00 +0.129 A ENDBRANCH 31 32 ENDBRANCH 6 31 TORSDOF 7