REMARK Name = BDB019151 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.090 -0.524 0.331 0.00 0.00 +0.120 C ATOM 2 C LIG 1 -0.521 -0.101 -1.040 0.00 0.00 +0.166 C ATOM 3 C LIG 1 1.000 0.073 -0.832 0.00 0.00 +0.152 C ATOM 4 C LIG 1 1.294 -0.491 0.563 0.00 0.00 +0.067 C ATOM 5 C LIG 1 0.012 -0.136 1.322 0.00 0.00 +0.038 C ENDROOT BRANCH 4 6 ATOM 6 C LIG 1 2.549 0.068 1.242 0.00 0.00 +0.213 C ATOM 7 C LIG 1 3.837 -0.188 0.552 0.00 0.00 +0.007 A ATOM 8 C LIG 1 4.455 1.019 0.287 0.00 0.00 +0.067 A ATOM 9 C LIG 1 5.682 1.113 -0.345 0.00 0.00 +0.035 A ATOM 10 C LIG 1 6.295 -0.080 -0.718 0.00 0.00 +0.042 A ATOM 11 C LIG 1 5.684 -1.319 -0.456 0.00 0.00 +0.020 A ATOM 12 CL LIG 1 7.824 -0.040 -1.508 0.00 0.00 -0.084 Cl ATOM 13 C LIG 1 3.607 2.099 0.769 0.00 0.00 +0.340 C ATOM 14 O LIG 1 3.836 3.289 0.703 0.00 0.00 -0.245 OA ATOM 15 C LIG 1 4.443 -1.379 0.187 0.00 0.00 +0.009 A ATOM 16 O LIG 1 2.498 1.513 1.314 0.00 0.00 -0.453 OA ENDBRANCH 4 6 BRANCH 1 21 ATOM 17 C LIG 1 -5.830 0.240 -0.344 0.00 0.00 +0.129 A ATOM 18 C LIG 1 -4.613 0.385 0.336 0.00 0.00 +0.058 A ATOM 19 C LIG 1 -4.162 1.046 1.510 0.00 0.00 +0.032 A ATOM 20 C LIG 1 -2.814 0.788 1.648 0.00 0.00 +0.089 A ATOM 21 N LIG 1 -2.417 0.011 0.588 0.00 0.00 -0.326 N ATOM 22 C LIG 1 -3.509 -0.251 -0.214 0.00 0.00 +0.146 A ATOM 23 N LIG 1 -3.492 -0.991 -1.339 0.00 0.00 -0.218 NA ATOM 24 C LIG 1 -4.716 -1.061 -1.897 0.00 0.00 +0.225 A ATOM 25 N LIG 1 -5.863 -0.501 -1.468 0.00 0.00 -0.220 NA BRANCH 17 26 ATOM 26 N LIG 1 -7.022 0.804 0.084 0.00 0.00 -0.343 N ATOM 27 H LIG 1 -7.813 0.364 -0.371 0.00 0.00 +0.144 HD ATOM 28 H LIG 1 -7.097 0.948 1.081 0.00 0.00 +0.144 HD ENDBRANCH 17 26 ENDBRANCH 1 21 BRANCH 2 29 ATOM 29 O LIG 1 -0.753 -1.110 -2.032 0.00 0.00 -0.387 OA ATOM 30 H LIG 1 -1.730 -1.219 -2.071 0.00 0.00 +0.210 HD ENDBRANCH 2 29 BRANCH 3 31 ATOM 31 O LIG 1 1.748 -0.627 -1.819 0.00 0.00 -0.389 OA ATOM 32 H LIG 1 1.077 -1.074 -2.382 0.00 0.00 +0.210 HD ENDBRANCH 3 31 TORSDOF 5