REMARK Name = BDB005687 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.402 0.802 -0.467 0.00 0.00 -0.310 N ATOM 2 C LIG 1 -1.615 0.217 -0.145 0.00 0.00 +0.096 A ATOM 3 C LIG 1 -2.316 1.252 0.482 0.00 0.00 +0.095 A ATOM 4 C LIG 1 -3.586 1.038 1.013 0.00 0.00 +0.061 A ATOM 5 C LIG 1 -4.078 -0.242 0.868 0.00 0.00 +0.112 A ATOM 6 N LIG 1 -3.429 -1.258 0.244 0.00 0.00 -0.241 NA ATOM 7 N LIG 1 -1.607 2.420 0.469 0.00 0.00 -0.214 NA ATOM 8 C LIG 1 -2.195 -1.050 -0.290 0.00 0.00 +0.099 A ATOM 9 C LIG 1 -0.473 2.140 -0.124 0.00 0.00 +0.200 A ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -5.409 -0.583 1.397 0.00 0.00 +0.201 A ATOM 11 N LIG 1 -5.879 -1.826 1.234 0.00 0.00 -0.270 N ATOM 12 H LIG 1 -5.418 -2.592 0.771 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 -7.092 -1.859 1.798 0.00 0.00 +0.440 A ATOM 14 O LIG 1 -7.837 -2.824 1.848 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 -7.363 -0.615 2.316 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 -6.220 0.201 2.026 0.00 0.00 -0.053 NA ENDBRANCH 5 10 BRANCH 8 17 ATOM 17 C LIG 1 -1.631 -2.184 -0.999 0.00 0.00 +0.022 A ATOM 18 C LIG 1 -1.532 -2.210 -2.397 0.00 0.00 +0.033 A ATOM 19 C LIG 1 -1.007 -3.330 -3.034 0.00 0.00 +0.060 A ATOM 20 CL LIG 1 -0.857 -3.369 -4.742 0.00 0.00 -0.082 Cl ATOM 21 C LIG 1 -0.603 -4.405 -2.258 0.00 0.00 +0.130 A ATOM 22 N LIG 1 -0.698 -4.430 -0.908 0.00 0.00 -0.261 NA ATOM 23 C LIG 1 -1.221 -3.329 -0.316 0.00 0.00 +0.120 A ENDBRANCH 8 17 BRANCH 9 24 ATOM 24 N LIG 1 0.553 2.992 -0.408 0.00 0.00 -0.293 N ATOM 25 C LIG 1 1.159 3.559 0.842 0.00 0.00 +0.108 C ATOM 26 C LIG 1 1.148 5.046 1.121 0.00 0.00 +0.141 C ATOM 27 O LIG 1 0.663 5.920 0.076 0.00 0.00 -0.373 OA ATOM 28 C LIG 1 -0.362 5.303 -0.712 0.00 0.00 +0.179 C ATOM 29 C LIG 1 2.440 4.343 0.809 0.00 0.00 +0.058 C ATOM 30 C LIG 1 0.191 4.046 -1.390 0.00 0.00 +0.136 C ENDBRANCH 9 24 BRANCH 1 31 ATOM 31 C LIG 1 0.773 0.192 -1.069 0.00 0.00 +0.128 C BRANCH 31 36 ATOM 32 C LIG 1 4.531 -2.860 1.619 0.00 0.00 +0.007 C ATOM 33 C LIG 1 3.802 -2.417 0.349 0.00 0.00 -0.014 C ATOM 34 C LIG 1 4.287 -1.022 -0.082 0.00 0.00 +0.003 C ATOM 35 C LIG 1 3.234 -0.305 -0.919 0.00 0.00 +0.005 C ATOM 36 C LIG 1 1.955 -0.030 -0.102 0.00 0.00 +0.009 C ATOM 37 C LIG 1 1.687 -1.134 0.941 0.00 0.00 +0.005 C ATOM 38 C LIG 1 2.274 -2.479 0.525 0.00 0.00 +0.003 C ENDBRANCH 31 36 ENDBRANCH 1 31 TORSDOF 5