REMARK Name = BDB030745 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.557 3.111 1.051 0.00 0.00 +0.033 A ATOM 2 C LIG 1 -1.158 1.846 1.048 0.00 0.00 +0.035 A ATOM 3 C LIG 1 -2.333 1.561 0.319 0.00 0.00 +0.025 A ATOM 4 C LIG 1 -2.944 0.202 0.331 0.00 0.00 +0.084 A ATOM 5 N LIG 1 -2.227 -0.819 0.981 0.00 0.00 -0.337 N ATOM 6 H LIG 1 -1.224 -0.659 0.901 0.00 0.00 +0.146 HD ATOM 7 C LIG 1 -2.510 -2.242 0.802 0.00 0.00 +0.077 C ATOM 8 C LIG 1 -3.851 -2.631 1.422 0.00 0.00 +0.063 C ATOM 9 C LIG 1 -4.985 -1.685 1.063 0.00 0.00 +0.231 C ATOM 10 O LIG 1 -4.846 -1.171 -0.260 0.00 0.00 -0.485 OA ATOM 11 C LIG 1 -4.141 0.033 -0.279 0.00 0.00 +0.207 A ATOM 12 C LIG 1 -4.793 1.138 -1.058 0.00 0.00 +0.295 A ATOM 13 N LIG 1 -4.146 2.365 -1.110 0.00 0.00 -0.308 N ATOM 14 C LIG 1 -4.772 3.434 -1.872 0.00 0.00 +0.152 C ATOM 15 O LIG 1 -5.870 0.927 -1.620 0.00 0.00 -0.264 OA ATOM 16 C LIG 1 -2.935 2.606 -0.402 0.00 0.00 +0.054 A ATOM 17 C LIG 1 -2.340 3.880 -0.393 0.00 0.00 +0.028 A ATOM 18 C LIG 1 -1.167 4.130 0.327 0.00 0.00 +0.025 A ENDROOT BRANCH 7 19 ATOM 19 C LIG 1 -1.392 -3.011 1.467 0.00 0.00 +0.009 C ATOM 20 C LIG 1 -0.063 -3.175 0.774 0.00 0.00 +0.005 C ATOM 21 C LIG 1 -0.968 -4.362 0.949 0.00 0.00 +0.005 C ENDBRANCH 7 19 BRANCH 1 22 ATOM 22 N LIG 1 0.633 3.353 1.763 0.00 0.00 -0.298 N ATOM 23 H LIG 1 0.897 4.333 1.805 0.00 0.00 +0.154 HD BRANCH 22 26 ATOM 24 C LIG 1 2.947 0.703 0.897 0.00 0.00 +0.221 A ATOM 25 N LIG 1 1.873 1.507 0.899 0.00 0.00 -0.198 NA ATOM 26 C LIG 1 1.779 2.516 1.794 0.00 0.00 +0.148 A ATOM 27 C LIG 1 2.765 2.733 2.737 0.00 0.00 +0.118 A ATOM 28 CL LIG 1 2.679 4.031 3.869 0.00 0.00 -0.077 Cl ATOM 29 C LIG 1 3.808 1.839 2.685 0.00 0.00 +0.154 A ATOM 30 CL LIG 1 5.153 1.905 3.763 0.00 0.00 -0.060 Cl ATOM 31 N LIG 1 3.922 0.836 1.795 0.00 0.00 -0.201 NA BRANCH 24 38 ATOM 32 C LIG 1 6.307 -1.213 -1.803 0.00 0.00 +0.039 C ATOM 33 C LIG 1 4.932 -0.586 -1.619 0.00 0.00 +0.133 C ATOM 34 O LIG 1 4.110 -1.033 -2.710 0.00 0.00 -0.371 OA ATOM 35 C LIG 1 2.696 -0.875 -2.498 0.00 0.00 +0.133 C ATOM 36 C LIG 1 2.066 -2.260 -2.388 0.00 0.00 +0.039 C ATOM 37 C LIG 1 2.314 0.054 -1.321 0.00 0.00 +0.139 C ATOM 38 N LIG 1 3.028 -0.288 -0.076 0.00 0.00 -0.295 N ATOM 39 C LIG 1 4.327 -0.958 -0.253 0.00 0.00 +0.139 C ENDBRANCH 24 38 ENDBRANCH 22 26 ENDBRANCH 1 22 TORSDOF 4