REMARK Name = BDB005716 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.126 1.205 0.212 0.00 0.00 +0.200 A ATOM 2 N LIG 1 -0.656 0.006 -0.292 0.00 0.00 -0.310 N ATOM 3 C LIG 1 -1.372 -1.017 0.309 0.00 0.00 +0.096 A ATOM 4 C LIG 1 -2.164 -0.354 1.246 0.00 0.00 +0.095 A ATOM 5 C LIG 1 -2.999 -1.066 2.103 0.00 0.00 +0.061 A ATOM 6 C LIG 1 -2.975 -2.437 1.946 0.00 0.00 +0.112 A ATOM 7 N LIG 1 -2.224 -3.105 1.033 0.00 0.00 -0.241 NA ATOM 8 C LIG 1 -1.415 -2.412 0.188 0.00 0.00 +0.099 A ATOM 9 N LIG 1 -1.991 1.000 1.174 0.00 0.00 -0.214 NA ENDROOT BRANCH 1 14 ATOM 10 C LIG 1 -1.958 5.390 1.889 0.00 0.00 +0.040 C ATOM 11 C LIG 1 -1.990 4.207 0.929 0.00 0.00 +0.135 C ATOM 12 C LIG 1 -0.613 3.491 0.792 0.00 0.00 +0.102 C ATOM 13 C LIG 1 0.532 4.447 0.429 0.00 0.00 +0.030 C ATOM 14 N LIG 1 -0.669 2.406 -0.240 0.00 0.00 -0.294 N ATOM 15 C LIG 1 -1.290 2.876 -1.508 0.00 0.00 +0.136 C ATOM 16 C LIG 1 -2.619 3.603 -1.258 0.00 0.00 +0.179 C ATOM 17 O LIG 1 -2.452 4.698 -0.347 0.00 0.00 -0.373 OA ENDBRANCH 1 14 BRANCH 6 18 ATOM 18 C LIG 1 -3.818 -3.288 2.802 0.00 0.00 +0.201 A ATOM 19 N LIG 1 -3.792 -4.617 2.631 0.00 0.00 -0.270 N ATOM 20 H LIG 1 -3.246 -5.129 1.958 0.00 0.00 +0.174 HD ATOM 21 C LIG 1 -4.640 -5.139 3.526 0.00 0.00 +0.440 A ATOM 22 O LIG 1 -4.889 -6.324 3.674 0.00 0.00 -0.221 OA ATOM 23 O LIG 1 -5.189 -4.111 4.254 0.00 0.00 -0.295 OA ATOM 24 N LIG 1 -4.616 -2.900 3.741 0.00 0.00 -0.053 NA ENDBRANCH 6 18 BRANCH 8 25 ATOM 25 C LIG 1 -0.692 -3.207 -0.787 0.00 0.00 +0.022 A ATOM 26 C LIG 1 -1.067 -3.242 -2.137 0.00 0.00 +0.033 A ATOM 27 C LIG 1 -0.347 -4.024 -3.036 0.00 0.00 +0.060 A ATOM 28 CL LIG 1 -0.777 -4.059 -4.697 0.00 0.00 -0.082 Cl ATOM 29 C LIG 1 0.725 -4.762 -2.561 0.00 0.00 +0.130 A ATOM 30 N LIG 1 1.111 -4.771 -1.264 0.00 0.00 -0.261 NA ATOM 31 C LIG 1 0.385 -4.009 -0.410 0.00 0.00 +0.120 A ENDBRANCH 8 25 BRANCH 2 32 ATOM 32 C LIG 1 0.462 -0.131 -1.211 0.00 0.00 +0.128 C BRANCH 32 33 ATOM 33 C LIG 1 1.778 -0.555 -0.527 0.00 0.00 +0.009 C ATOM 34 C LIG 1 2.336 0.574 0.362 0.00 0.00 +0.005 C ATOM 35 C LIG 1 3.837 0.423 0.578 0.00 0.00 +0.003 C ATOM 36 C LIG 1 4.606 0.565 -0.747 0.00 0.00 -0.014 C ATOM 37 C LIG 1 5.962 -0.137 -0.646 0.00 0.00 +0.007 C ATOM 38 C LIG 1 3.798 0.058 -1.956 0.00 0.00 +0.003 C ATOM 39 C LIG 1 2.810 -1.037 -1.568 0.00 0.00 +0.005 C ENDBRANCH 32 33 ENDBRANCH 2 32 TORSDOF 5