REMARK Name = BDB031164 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.388 0.123 2.390 0.00 0.00 +0.144 C ATOM 2 N LIG 1 -1.331 0.171 1.270 0.00 0.00 -0.288 N ATOM 3 C LIG 1 -1.147 1.061 0.237 0.00 0.00 +0.227 C ATOM 4 O LIG 1 -0.167 1.822 0.248 0.00 0.00 -0.275 OA ATOM 5 C LIG 1 -2.458 -0.721 1.521 0.00 0.00 +0.140 C ATOM 6 C LIG 1 -2.063 -1.546 2.750 0.00 0.00 +0.134 C ATOM 7 C LIG 1 -1.146 -0.592 3.505 0.00 0.00 +0.063 C ENDROOT BRANCH 1 11 ATOM 8 C LIG 1 2.782 -0.916 0.879 0.00 0.00 +0.078 A ATOM 9 C LIG 1 2.375 -2.090 1.507 0.00 0.00 +0.169 A ATOM 10 N LIG 1 1.163 -1.876 2.163 0.00 0.00 -0.226 NA ATOM 11 C LIG 1 0.843 -0.618 1.948 0.00 0.00 +0.129 A ATOM 12 N LIG 1 1.799 -0.004 1.180 0.00 0.00 -0.340 N ATOM 13 H LIG 1 1.736 0.952 0.845 0.00 0.00 +0.167 HD BRANCH 8 17 ATOM 14 C LIG 1 6.161 0.071 -1.551 0.00 0.00 +0.120 A ATOM 15 C LIG 1 6.330 -0.612 -0.345 0.00 0.00 +0.046 A ATOM 16 C LIG 1 5.229 -0.938 0.453 0.00 0.00 +0.013 A ATOM 17 C LIG 1 3.937 -0.586 0.053 0.00 0.00 +0.001 A ATOM 18 C LIG 1 3.771 0.101 -1.157 0.00 0.00 +0.013 A ATOM 19 C LIG 1 4.875 0.427 -1.955 0.00 0.00 +0.046 A BRANCH 14 21 ATOM 20 C LIG 1 7.203 1.033 -3.459 0.00 0.00 +0.277 C ATOM 21 O LIG 1 7.319 0.327 -2.230 0.00 0.00 -0.495 OA ENDBRANCH 14 21 ENDBRANCH 8 17 BRANCH 9 22 ATOM 22 C LIG 1 3.046 -3.434 1.505 0.00 0.00 +0.436 C ATOM 23 F LIG 1 3.404 -3.828 0.252 0.00 0.00 -0.164 F ATOM 24 F LIG 1 4.183 -3.435 2.253 0.00 0.00 -0.164 F ATOM 25 F LIG 1 2.255 -4.422 2.004 0.00 0.00 -0.164 F ENDBRANCH 9 22 ENDBRANCH 1 11 BRANCH 6 26 ATOM 26 O LIG 1 -3.181 -1.887 3.554 0.00 0.00 -0.390 OA ATOM 27 H LIG 1 -3.696 -2.558 3.072 0.00 0.00 +0.210 HD ENDBRANCH 6 26 BRANCH 3 28 ATOM 28 C LIG 1 -2.087 1.095 -0.979 0.00 0.00 +0.146 C BRANCH 28 29 ATOM 29 C LIG 1 -3.455 1.504 -0.543 0.00 0.00 +0.153 A ATOM 30 O LIG 1 -4.432 0.552 -0.538 0.00 0.00 -0.355 OA ATOM 31 N LIG 1 -5.622 1.109 -0.099 0.00 0.00 -0.040 NA ATOM 32 C LIG 1 -5.337 2.391 0.139 0.00 0.00 +0.255 A ATOM 33 C LIG 1 -3.994 2.700 -0.124 0.00 0.00 +0.115 A BRANCH 32 34 ATOM 34 O LIG 1 -6.268 3.263 0.584 0.00 0.00 -0.478 OA ATOM 35 C LIG 1 -7.553 2.690 0.800 0.00 0.00 +0.279 C ENDBRANCH 32 34 ENDBRANCH 28 29 BRANCH 28 36 ATOM 36 C LIG 1 -2.025 -0.166 -1.877 0.00 0.00 +0.002 C ATOM 37 C LIG 1 -2.691 0.097 -3.238 0.00 0.00 +0.008 C ATOM 38 C LIG 1 -0.582 -0.626 -2.124 0.00 0.00 +0.008 C ENDBRANCH 28 36 ENDBRANCH 3 28 TORSDOF 9