REMARK Name = BDB007178 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.205 -0.523 0.293 0.00 0.00 +0.163 A ATOM 2 C LIG 1 -3.456 -1.433 -0.747 0.00 0.00 +0.163 A ATOM 3 C LIG 1 -2.379 -1.883 -1.517 0.00 0.00 +0.073 A ATOM 4 C LIG 1 -1.082 -1.448 -1.224 0.00 0.00 +0.044 A ATOM 5 N LIG 1 -0.006 -1.915 -1.967 0.00 0.00 -0.269 N ATOM 6 H LIG 1 -0.159 -2.541 -2.747 0.00 0.00 +0.156 HD ATOM 7 C LIG 1 1.314 -1.754 -1.641 0.00 0.00 +0.312 C ATOM 8 N LIG 1 1.602 -0.988 -0.511 0.00 0.00 -0.244 N ATOM 9 C LIG 1 0.582 -0.051 0.002 0.00 0.00 +0.145 C ATOM 10 O LIG 1 2.131 -2.311 -2.373 0.00 0.00 -0.252 OA ATOM 11 C LIG 1 -0.831 -0.560 -0.190 0.00 0.00 +0.003 A ATOM 12 C LIG 1 -1.904 -0.109 0.587 0.00 0.00 +0.057 A ENDROOT BRANCH 9 13 ATOM 13 C LIG 1 0.724 1.373 -0.558 0.00 0.00 -0.022 A ATOM 14 C LIG 1 1.027 1.620 -1.908 0.00 0.00 +0.007 A ATOM 15 C LIG 1 1.127 2.928 -2.392 0.00 0.00 +0.020 A ATOM 16 C LIG 1 0.917 4.004 -1.534 0.00 0.00 +0.041 A ATOM 17 CL LIG 1 1.037 5.612 -2.131 0.00 0.00 -0.084 Cl ATOM 18 C LIG 1 0.606 3.784 -0.195 0.00 0.00 +0.020 A ATOM 19 C LIG 1 0.508 2.477 0.289 0.00 0.00 +0.007 A ENDBRANCH 9 13 BRANCH 8 20 ATOM 20 C LIG 1 2.920 -0.996 0.090 0.00 0.00 +0.039 A ATOM 21 C LIG 1 3.356 0.012 0.956 0.00 0.00 +0.025 A ATOM 22 C LIG 1 4.633 -0.019 1.549 0.00 0.00 +0.025 A ATOM 23 C LIG 1 5.549 -1.053 1.318 0.00 0.00 +0.029 A ATOM 24 C LIG 1 5.090 -2.075 0.479 0.00 0.00 +0.025 A ATOM 25 C LIG 1 3.815 -2.048 -0.120 0.00 0.00 +0.025 A BRANCH 23 26 ATOM 26 N LIG 1 6.811 -1.085 1.924 0.00 0.00 -0.336 N ATOM 27 C LIG 1 7.798 -2.052 1.446 0.00 0.00 +0.129 C ATOM 28 C LIG 1 7.362 0.159 2.461 0.00 0.00 +0.129 C ENDBRANCH 23 26 ENDBRANCH 8 20 BRANCH 2 29 ATOM 29 O LIG 1 -4.758 -1.817 -0.923 0.00 0.00 -0.491 OA ATOM 30 C LIG 1 -5.020 -2.837 -1.878 0.00 0.00 +0.277 C ENDBRANCH 2 29 BRANCH 1 31 ATOM 31 O LIG 1 -4.191 -0.046 1.119 0.00 0.00 -0.485 OA BRANCH 31 32 ATOM 32 C LIG 1 -5.102 0.845 0.445 0.00 0.00 +0.170 C ATOM 33 C LIG 1 -4.746 2.272 0.863 0.00 0.00 +0.052 C BRANCH 32 35 ATOM 34 C LIG 1 -7.616 1.231 0.175 0.00 0.00 +0.007 C ATOM 35 C LIG 1 -6.520 0.451 0.882 0.00 0.00 +0.041 C ENDBRANCH 32 35 ENDBRANCH 31 32 ENDBRANCH 1 31 TORSDOF 7