REMARK Name = BDB034778 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.662 -1.007 0.446 0.00 0.00 -0.290 N ATOM 2 C LIG 1 -0.263 -0.919 0.362 0.00 0.00 +0.072 A ATOM 3 C LIG 1 0.218 -2.164 -0.046 0.00 0.00 +0.070 A ATOM 4 C LIG 1 1.562 -2.399 -0.227 0.00 0.00 +0.030 A ATOM 5 C LIG 1 2.438 -1.332 0.013 0.00 0.00 +0.025 A ATOM 6 C LIG 1 1.972 -0.062 0.431 0.00 0.00 +0.033 A ATOM 7 N LIG 1 -0.876 -3.017 -0.219 0.00 0.00 -0.295 N ATOM 8 C LIG 1 -0.805 -4.377 -0.669 0.00 0.00 +0.154 C ATOM 9 C LIG 1 0.589 0.141 0.601 0.00 0.00 +0.051 A ATOM 10 C LIG 1 -2.060 -2.309 0.062 0.00 0.00 +0.330 A ATOM 11 O LIG 1 -3.206 -2.719 -0.033 0.00 0.00 -0.246 OA ENDROOT BRANCH 6 12 ATOM 12 N LIG 1 2.838 1.034 0.634 0.00 0.00 -0.313 N ATOM 13 H LIG 1 2.500 1.672 1.353 0.00 0.00 +0.152 HD BRANCH 12 14 ATOM 14 C LIG 1 4.133 1.309 0.135 0.00 0.00 +0.053 A ATOM 15 C LIG 1 5.077 2.020 0.901 0.00 0.00 +0.110 A ATOM 16 C LIG 1 6.342 2.218 0.362 0.00 0.00 +0.148 A ATOM 17 CL LIG 1 7.595 3.068 1.185 0.00 0.00 -0.061 Cl ATOM 18 N LIG 1 6.732 1.773 -0.854 0.00 0.00 -0.242 NA ATOM 19 C LIG 1 5.816 1.098 -1.572 0.00 0.00 +0.114 A ATOM 20 C LIG 1 4.530 0.843 -1.125 0.00 0.00 +0.044 A BRANCH 15 21 ATOM 21 C LIG 1 4.746 2.523 2.195 0.00 0.00 +0.104 C ATOM 22 N LIG 1 4.407 2.922 3.231 0.00 0.00 -0.191 NA ENDBRANCH 15 21 ENDBRANCH 12 14 ENDBRANCH 6 12 BRANCH 1 23 ATOM 23 C LIG 1 -2.573 0.064 0.789 0.00 0.00 +0.153 C BRANCH 23 26 ATOM 24 C LIG 1 -4.653 2.202 1.098 0.00 0.00 +0.054 C ATOM 25 C LIG 1 -4.043 1.927 -0.272 0.00 0.00 +0.197 C ATOM 26 C LIG 1 -3.331 0.588 -0.433 0.00 0.00 +0.136 C ATOM 27 N LIG 1 -4.418 -0.240 -0.855 0.00 0.00 -0.273 N ATOM 28 H LIG 1 -4.348 -1.235 -1.056 0.00 0.00 +0.152 HD ATOM 29 C LIG 1 -5.363 0.523 -1.480 0.00 0.00 +0.401 C ATOM 30 O LIG 1 -6.277 0.105 -2.167 0.00 0.00 -0.226 OA ATOM 31 O LIG 1 -5.111 1.847 -1.238 0.00 0.00 -0.445 OA ENDBRANCH 23 26 ENDBRANCH 1 23 TORSDOF 5