REMARK Name = BDB005920 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.783 -0.299 1.488 0.00 0.00 +0.102 A ATOM 2 C LIG 1 0.435 -0.638 1.332 0.00 0.00 +0.097 A ATOM 3 C LIG 1 -0.160 -1.591 2.155 0.00 0.00 +0.095 A ATOM 4 N LIG 1 -1.463 -1.813 1.806 0.00 0.00 -0.214 NA ATOM 5 C LIG 1 -1.694 -1.030 0.781 0.00 0.00 +0.200 A ATOM 6 C LIG 1 0.561 -2.195 3.185 0.00 0.00 +0.061 A ATOM 7 C LIG 1 1.872 -1.779 3.325 0.00 0.00 +0.112 A ATOM 8 N LIG 1 -0.603 -0.226 0.515 0.00 0.00 -0.310 N ATOM 9 N LIG 1 2.464 -0.866 2.520 0.00 0.00 -0.241 NA ENDROOT BRANCH 5 10 ATOM 10 N LIG 1 -2.847 -0.918 0.068 0.00 0.00 -0.293 N ATOM 11 C LIG 1 -3.010 -1.811 -1.104 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -3.364 -3.240 -0.672 0.00 0.00 +0.139 C ATOM 13 C LIG 1 -3.354 -3.977 -2.002 0.00 0.00 +0.033 C ATOM 14 C LIG 1 -2.207 -3.326 -2.788 0.00 0.00 +0.004 C ATOM 15 O LIG 1 -4.628 -3.259 -0.012 0.00 0.00 -0.373 OA ATOM 16 C LIG 1 -4.532 -2.456 1.185 0.00 0.00 +0.179 C ATOM 17 C LIG 1 -1.829 -2.038 -2.035 0.00 0.00 +0.025 C ATOM 18 C LIG 1 -4.093 -1.000 0.894 0.00 0.00 +0.136 C ENDBRANCH 5 10 BRANCH 1 20 ATOM 19 C LIG 1 2.845 0.352 -0.689 0.00 0.00 +0.224 A ATOM 20 C LIG 1 2.547 0.617 0.653 0.00 0.00 +0.065 A ATOM 21 C LIG 1 3.066 1.803 1.198 0.00 0.00 +0.037 A ATOM 22 C LIG 1 3.802 2.671 0.401 0.00 0.00 +0.060 A ATOM 23 CL LIG 1 4.419 4.137 1.040 0.00 0.00 -0.082 Cl ATOM 24 C LIG 1 4.015 2.327 -0.923 0.00 0.00 +0.134 A ATOM 25 N LIG 1 3.551 1.188 -1.490 0.00 0.00 -0.219 NA BRANCH 19 26 ATOM 26 O LIG 1 2.366 -0.829 -1.224 0.00 0.00 -0.474 OA BRANCH 26 27 ATOM 27 C LIG 1 2.712 -1.060 -2.592 0.00 0.00 +0.258 C BRANCH 27 28 ATOM 28 C LIG 1 4.116 -1.651 -2.729 0.00 0.00 +0.200 C BRANCH 28 30 ATOM 29 C LIG 1 4.923 -0.805 -4.791 0.00 0.00 +0.194 C ATOM 30 O LIG 1 4.436 -1.943 -4.091 0.00 0.00 -0.380 OA ENDBRANCH 28 30 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 19 26 ENDBRANCH 1 20 BRANCH 7 31 ATOM 31 C LIG 1 2.740 -2.324 4.396 0.00 0.00 +0.201 A ATOM 32 N LIG 1 2.405 -3.433 5.077 0.00 0.00 -0.270 N ATOM 33 H LIG 1 1.626 -4.057 4.967 0.00 0.00 +0.174 HD ATOM 34 C LIG 1 3.400 -3.670 5.945 0.00 0.00 +0.440 A ATOM 35 O LIG 1 3.457 -4.614 6.716 0.00 0.00 -0.221 OA ATOM 36 O LIG 1 4.339 -2.682 5.815 0.00 0.00 -0.295 OA ATOM 37 N LIG 1 3.869 -1.818 4.777 0.00 0.00 -0.053 NA ENDBRANCH 7 31 BRANCH 8 38 ATOM 38 C LIG 1 -0.611 0.904 -0.399 0.00 0.00 +0.128 C BRANCH 38 39 ATOM 39 C LIG 1 -0.665 2.273 0.310 0.00 0.00 +0.009 C ATOM 40 C LIG 1 -2.023 2.487 1.009 0.00 0.00 +0.005 C ATOM 41 C LIG 1 -2.321 3.968 1.202 0.00 0.00 +0.003 C ATOM 42 C LIG 1 -2.467 4.689 -0.150 0.00 0.00 -0.014 C ATOM 43 C LIG 1 -2.190 6.184 0.018 0.00 0.00 +0.007 C ATOM 44 C LIG 1 -1.580 4.071 -1.246 0.00 0.00 +0.003 C ATOM 45 C LIG 1 -0.329 3.415 -0.671 0.00 0.00 +0.005 C ENDBRANCH 38 39 ENDBRANCH 8 38 TORSDOF 9