REMARK Name = BDB054736 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.867 0.383 -0.511 0.00 0.00 -0.043 A ATOM 2 C LIG 1 -1.384 -0.919 -0.680 0.00 0.00 +0.007 A ATOM 3 C LIG 1 -0.154 -1.308 -0.133 0.00 0.00 +0.046 A ATOM 4 C LIG 1 0.617 -0.393 0.580 0.00 0.00 +0.121 A ATOM 5 C LIG 1 0.147 0.912 0.739 0.00 0.00 +0.046 A ATOM 6 C LIG 1 -1.082 1.299 0.201 0.00 0.00 +0.007 A ENDROOT BRANCH 1 7 ATOM 7 C LIG 1 -3.192 0.812 -1.100 0.00 0.00 +0.094 C BRANCH 7 8 ATOM 8 C LIG 1 -4.485 0.568 -0.257 0.00 0.00 +0.209 C BRANCH 8 10 ATOM 9 C LIG 1 -5.095 -1.719 -1.324 0.00 0.00 +0.008 C ATOM 10 C LIG 1 -4.752 -0.949 -0.053 0.00 0.00 +0.057 C ENDBRANCH 8 10 BRANCH 8 11 ATOM 11 C LIG 1 -4.283 1.260 1.112 0.00 0.00 +0.349 C ATOM 12 O LIG 1 -4.330 0.728 2.211 0.00 0.00 -0.246 OA BRANCH 11 13 ATOM 13 O LIG 1 -4.079 2.594 1.030 0.00 0.00 -0.478 OA ATOM 14 H LIG 1 -4.048 2.886 1.965 0.00 0.00 +0.295 HD ENDBRANCH 11 13 ENDBRANCH 8 11 BRANCH 8 15 ATOM 15 O LIG 1 -5.530 1.124 -1.083 0.00 0.00 -0.474 OA BRANCH 15 16 ATOM 16 C LIG 1 -6.658 1.673 -0.542 0.00 0.00 +0.122 A ATOM 17 C LIG 1 -7.220 2.708 -1.297 0.00 0.00 +0.046 A ATOM 18 C LIG 1 -8.379 3.362 -0.868 0.00 0.00 +0.004 A ATOM 19 C LIG 1 -8.994 2.976 0.320 0.00 0.00 +0.000 A ATOM 20 C LIG 1 -8.453 1.926 1.063 0.00 0.00 +0.004 A ATOM 21 C LIG 1 -7.293 1.269 0.629 0.00 0.00 +0.046 A ENDBRANCH 15 16 ENDBRANCH 8 15 ENDBRANCH 7 8 ENDBRANCH 1 7 BRANCH 4 22 ATOM 22 O LIG 1 1.837 -0.625 1.149 0.00 0.00 -0.492 OA BRANCH 22 23 ATOM 23 C LIG 1 2.399 -1.937 1.089 0.00 0.00 +0.235 C BRANCH 23 24 ATOM 24 C LIG 1 3.155 -2.173 -0.216 0.00 0.00 +0.100 C BRANCH 24 25 ATOM 25 C LIG 1 4.436 -1.418 -0.281 0.00 0.00 +0.086 A ATOM 26 C LIG 1 4.665 -0.094 -0.591 0.00 0.00 +0.126 A ATOM 27 C LIG 1 3.821 1.055 -0.958 0.00 0.00 +0.088 C ATOM 28 O LIG 1 6.011 0.129 -0.507 0.00 0.00 -0.440 OA ATOM 29 C LIG 1 6.539 -1.087 -0.154 0.00 0.00 +0.228 A ATOM 30 N LIG 1 5.636 -2.042 -0.010 0.00 0.00 -0.214 NA BRANCH 29 31 ATOM 31 C LIG 1 7.990 -1.153 0.009 0.00 0.00 +0.037 A ATOM 32 C LIG 1 8.589 -2.359 0.407 0.00 0.00 +0.013 A ATOM 33 C LIG 1 9.975 -2.451 0.572 0.00 0.00 +0.001 A ATOM 34 C LIG 1 10.779 -1.336 0.340 0.00 0.00 +0.000 A ATOM 35 C LIG 1 10.201 -0.131 -0.056 0.00 0.00 +0.001 A ATOM 36 C LIG 1 8.815 -0.040 -0.220 0.00 0.00 +0.013 A ENDBRANCH 29 31 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 4 22 TORSDOF 12