REMARK Name = BDB005673 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.440 0.241 -0.147 0.00 0.00 -0.310 N ATOM 2 C LIG 1 -0.811 1.544 0.132 0.00 0.00 +0.096 A ATOM 3 C LIG 1 -1.673 1.409 1.220 0.00 0.00 +0.095 A ATOM 4 C LIG 1 -2.223 2.530 1.843 0.00 0.00 +0.061 A ATOM 5 C LIG 1 -1.858 3.753 1.313 0.00 0.00 +0.112 A ATOM 6 N LIG 1 -1.036 3.893 0.246 0.00 0.00 -0.241 NA ATOM 7 N LIG 1 -1.876 0.097 1.544 0.00 0.00 -0.214 NA ATOM 8 C LIG 1 -0.509 2.809 -0.380 0.00 0.00 +0.099 A ATOM 9 C LIG 1 -1.158 -0.590 0.692 0.00 0.00 +0.200 A ENDROOT BRANCH 9 10 ATOM 10 N LIG 1 -1.054 -1.945 0.610 0.00 0.00 -0.293 N ATOM 11 C LIG 1 -2.308 -2.599 0.160 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -2.287 -4.088 0.532 0.00 0.00 +0.139 C ATOM 13 C LIG 1 -3.460 -4.641 -0.259 0.00 0.00 +0.033 C ATOM 14 C LIG 1 -3.440 -3.843 -1.569 0.00 0.00 +0.004 C ATOM 15 O LIG 1 -2.398 -4.295 1.938 0.00 0.00 -0.373 OA ATOM 16 C LIG 1 -1.708 -3.260 2.674 0.00 0.00 +0.179 C ATOM 17 C LIG 1 -2.477 -2.667 -1.350 0.00 0.00 +0.025 C ATOM 18 C LIG 1 -0.569 -2.576 1.883 0.00 0.00 +0.136 C ENDBRANCH 9 10 BRANCH 5 19 ATOM 19 C LIG 1 -2.359 5.024 1.889 0.00 0.00 +0.201 A ATOM 20 N LIG 1 -3.344 5.045 2.803 0.00 0.00 -0.270 N ATOM 21 H LIG 1 -3.890 4.300 3.196 0.00 0.00 +0.174 HD ATOM 22 C LIG 1 -3.571 6.333 3.099 0.00 0.00 +0.440 A ATOM 23 O LIG 1 -4.416 6.741 3.881 0.00 0.00 -0.221 OA ATOM 24 O LIG 1 -2.705 7.109 2.377 0.00 0.00 -0.295 OA ATOM 25 N LIG 1 -1.927 6.206 1.587 0.00 0.00 -0.053 NA ENDBRANCH 5 19 BRANCH 8 26 ATOM 26 C LIG 1 0.298 3.093 -1.552 0.00 0.00 +0.022 A ATOM 27 C LIG 1 -0.160 2.822 -2.849 0.00 0.00 +0.033 A ATOM 28 C LIG 1 0.647 3.115 -3.944 0.00 0.00 +0.060 A ATOM 29 CL LIG 1 0.113 2.767 -5.537 0.00 0.00 -0.082 Cl ATOM 30 C LIG 1 1.891 3.680 -3.717 0.00 0.00 +0.130 A ATOM 31 N LIG 1 2.368 3.973 -2.485 0.00 0.00 -0.261 NA ATOM 32 C LIG 1 1.551 3.695 -1.438 0.00 0.00 +0.120 A ENDBRANCH 8 26 BRANCH 1 33 ATOM 33 C LIG 1 0.547 -0.234 -1.101 0.00 0.00 +0.128 C BRANCH 33 38 ATOM 34 C LIG 1 4.475 -2.505 0.875 0.00 0.00 +0.007 C ATOM 35 C LIG 1 4.659 -1.164 0.157 0.00 0.00 -0.014 C ATOM 36 C LIG 1 3.918 -0.027 0.885 0.00 0.00 +0.003 C ATOM 37 C LIG 1 2.662 0.471 0.162 0.00 0.00 +0.005 C ATOM 38 C LIG 1 1.879 -0.684 -0.468 0.00 0.00 +0.009 C ATOM 39 C LIG 1 2.737 -1.416 -1.519 0.00 0.00 +0.005 C ATOM 40 C LIG 1 4.245 -1.254 -1.314 0.00 0.00 +0.003 C ENDBRANCH 33 38 ENDBRANCH 1 33 TORSDOF 5