REMARK Name = BDB042389 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.505 0.756 -0.240 0.00 0.00 +0.051 A ATOM 2 C LIG 1 -1.988 -0.563 -0.241 0.00 0.00 +0.054 A ATOM 3 C LIG 1 -0.605 -0.770 -0.158 0.00 0.00 +0.033 A ATOM 4 C LIG 1 0.291 0.306 -0.043 0.00 0.00 -0.016 A ATOM 5 C LIG 1 -0.239 1.606 -0.025 0.00 0.00 +0.010 A ATOM 6 C LIG 1 -1.616 1.830 -0.123 0.00 0.00 +0.025 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 -7.430 3.013 -0.326 0.00 0.00 +0.105 C ATOM 8 N LIG 1 -6.108 2.904 0.285 0.00 0.00 -0.302 NA ATOM 9 C LIG 1 -5.950 1.589 0.949 0.00 0.00 +0.103 C ATOM 10 C LIG 1 -4.479 1.132 1.056 0.00 0.00 +0.120 C ATOM 11 N LIG 1 -3.913 0.922 -0.303 0.00 0.00 -0.326 N ATOM 12 C LIG 1 -4.390 1.893 -1.318 0.00 0.00 +0.120 C ATOM 13 C LIG 1 -5.025 3.155 -0.690 0.00 0.00 +0.103 C ENDBRANCH 1 11 BRANCH 4 14 ATOM 14 C LIG 1 1.743 0.078 0.050 0.00 0.00 -0.018 A ATOM 15 C LIG 1 2.412 -0.723 -0.892 0.00 0.00 +0.009 A ATOM 16 C LIG 1 3.793 -0.941 -0.810 0.00 0.00 +0.013 A ATOM 17 C LIG 1 4.534 -0.351 0.220 0.00 0.00 +0.037 A ATOM 18 C LIG 1 3.880 0.432 1.175 0.00 0.00 +0.013 A ATOM 19 C LIG 1 2.500 0.647 1.087 0.00 0.00 +0.009 A BRANCH 17 20 ATOM 20 C LIG 1 6.003 -0.550 0.353 0.00 0.00 +0.244 C ATOM 21 N LIG 1 6.702 -0.773 -0.816 0.00 0.00 -0.311 N ATOM 22 H LIG 1 6.235 -0.648 -1.704 0.00 0.00 +0.149 HD ATOM 23 O LIG 1 6.540 -0.476 1.453 0.00 0.00 -0.270 OA BRANCH 21 24 ATOM 24 C LIG 1 8.142 -0.927 -0.826 0.00 0.00 +0.107 C BRANCH 24 25 ATOM 25 C LIG 1 8.878 0.373 -1.132 0.00 0.00 +0.046 C BRANCH 25 26 ATOM 26 C LIG 1 8.748 1.419 -0.033 0.00 0.00 +0.157 C BRANCH 26 27 ATOM 27 O LIG 1 9.548 2.550 -0.365 0.00 0.00 -0.395 OA ATOM 28 H LIG 1 10.478 2.282 -0.271 0.00 0.00 +0.209 HD ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 21 24 ENDBRANCH 17 20 ENDBRANCH 4 14 BRANCH 2 29 ATOM 29 N LIG 1 -2.909 -1.629 -0.423 0.00 0.00 -0.296 N ATOM 30 H LIG 1 -3.847 -1.221 -0.373 0.00 0.00 +0.154 HD BRANCH 29 31 ATOM 31 C LIG 1 -2.913 -2.896 0.217 0.00 0.00 +0.148 A ATOM 32 C LIG 1 -3.937 -3.781 -0.136 0.00 0.00 +0.102 A ATOM 33 C LIG 1 -3.938 -4.956 0.604 0.00 0.00 +0.155 A ATOM 34 CL LIG 1 -5.173 -6.141 0.389 0.00 0.00 -0.060 Cl ATOM 35 N LIG 1 -3.011 -5.318 1.507 0.00 0.00 -0.222 NA ATOM 36 C LIG 1 -2.047 -4.418 1.700 0.00 0.00 +0.225 A ATOM 37 N LIG 1 -1.949 -3.224 1.101 0.00 0.00 -0.219 NA BRANCH 32 38 ATOM 38 N LIG 1 -4.990 -3.388 -1.002 0.00 0.00 -0.353 N ATOM 39 H LIG 1 -5.487 -4.188 -1.391 0.00 0.00 +0.143 HD ATOM 40 H LIG 1 -4.652 -2.755 -1.726 0.00 0.00 +0.143 HD ENDBRANCH 32 38 ENDBRANCH 29 31 ENDBRANCH 2 29 TORSDOF 10