REMARK Name = BDB005837 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.891 -0.245 -0.106 0.00 0.00 +0.140 A ATOM 2 N LIG 1 -0.854 0.594 -0.506 0.00 0.00 -0.323 N ATOM 3 C LIG 1 -1.024 1.823 0.131 0.00 0.00 +0.095 A ATOM 4 C LIG 1 -2.123 1.621 0.956 0.00 0.00 +0.094 A ATOM 5 C LIG 1 -2.582 2.621 1.813 0.00 0.00 +0.061 A ATOM 6 C LIG 1 -1.877 3.807 1.784 0.00 0.00 +0.112 A ATOM 7 N LIG 1 -0.820 4.029 0.970 0.00 0.00 -0.241 NA ATOM 8 C LIG 1 -0.376 3.067 0.118 0.00 0.00 +0.099 A ATOM 9 N LIG 1 -2.648 0.379 0.782 0.00 0.00 -0.229 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -2.248 4.948 2.657 0.00 0.00 +0.201 A ATOM 11 N LIG 1 -3.158 4.820 3.637 0.00 0.00 -0.270 N ATOM 12 H LIG 1 -3.673 4.019 3.953 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 -3.248 6.014 4.241 0.00 0.00 +0.440 A ATOM 14 O LIG 1 -3.966 6.273 5.194 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 -2.401 6.888 3.615 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 -1.756 6.142 2.579 0.00 0.00 -0.053 NA ENDBRANCH 6 10 BRANCH 8 17 ATOM 17 C LIG 1 0.722 3.470 -0.744 0.00 0.00 +0.022 A ATOM 18 C LIG 1 0.528 3.767 -2.100 0.00 0.00 +0.033 A ATOM 19 C LIG 1 1.608 4.163 -2.883 0.00 0.00 +0.060 A ATOM 20 CL LIG 1 1.395 4.502 -4.552 0.00 0.00 -0.082 Cl ATOM 21 C LIG 1 2.856 4.264 -2.290 0.00 0.00 +0.130 A ATOM 22 N LIG 1 3.086 4.006 -0.982 0.00 0.00 -0.261 NA ATOM 23 C LIG 1 2.011 3.642 -0.239 0.00 0.00 +0.120 A ENDBRANCH 8 17 BRANCH 1 24 ATOM 24 C LIG 1 -2.236 -1.653 -0.580 0.00 0.00 +0.187 C BRANCH 24 25 ATOM 25 C LIG 1 -2.717 -2.519 0.607 0.00 0.00 +0.025 C ATOM 26 C LIG 1 -1.653 -2.817 1.670 0.00 0.00 +0.006 C ATOM 27 C LIG 1 -2.232 -3.977 2.478 0.00 0.00 +0.000 C ATOM 28 C LIG 1 -3.279 -4.638 1.581 0.00 0.00 +0.000 C ATOM 29 C LIG 1 -3.164 -3.934 0.234 0.00 0.00 +0.006 C ENDBRANCH 24 25 BRANCH 24 30 ATOM 30 O LIG 1 -1.115 -2.267 -1.209 0.00 0.00 -0.369 OA BRANCH 30 32 ATOM 31 C LIG 1 -0.198 -3.527 -3.018 0.00 0.00 +0.034 C ATOM 32 C LIG 1 -1.424 -2.803 -2.498 0.00 0.00 +0.157 C ENDBRANCH 30 32 ENDBRANCH 24 30 ENDBRANCH 1 24 BRANCH 2 33 ATOM 33 C LIG 1 0.233 0.287 -1.421 0.00 0.00 +0.127 C BRANCH 33 34 ATOM 34 C LIG 1 1.589 0.020 -0.740 0.00 0.00 +0.009 C ATOM 35 C LIG 1 2.704 -0.013 -1.798 0.00 0.00 +0.005 C ATOM 36 C LIG 1 4.074 -0.260 -1.171 0.00 0.00 +0.003 C ATOM 37 C LIG 1 4.091 -1.543 -0.332 0.00 0.00 -0.014 C ATOM 38 C LIG 1 5.453 -1.738 0.330 0.00 0.00 +0.007 C ATOM 39 C LIG 1 2.975 -1.519 0.720 0.00 0.00 +0.003 C ATOM 40 C LIG 1 1.607 -1.274 0.086 0.00 0.00 +0.005 C ENDBRANCH 33 34 ENDBRANCH 2 33 TORSDOF 8