REMARK Name = BDB014110 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.168 0.094 0.047 0.00 0.00 +0.110 A ATOM 2 C LIG 1 1.773 0.118 -0.035 0.00 0.00 +0.088 A ATOM 3 C LIG 1 0.623 0.967 -0.050 0.00 0.00 +0.256 C ATOM 4 N LIG 1 -0.502 0.089 -0.207 0.00 0.00 -0.253 N ATOM 5 C LIG 1 -0.068 -1.356 -0.278 0.00 0.00 +0.161 C ATOM 6 O LIG 1 0.667 2.180 0.054 0.00 0.00 -0.269 OA ATOM 7 C LIG 1 1.380 -1.173 -0.160 0.00 0.00 +0.074 A ATOM 8 N LIG 1 2.482 -1.943 -0.115 0.00 0.00 -0.278 N ATOM 9 H LIG 1 2.582 -2.953 -0.154 0.00 0.00 +0.189 HD ATOM 10 N LIG 1 3.599 -1.191 0.026 0.00 0.00 -0.173 NA ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -1.834 0.485 -0.361 0.00 0.00 +0.055 A ATOM 12 C LIG 1 -2.821 -0.384 -0.671 0.00 0.00 +0.118 A ATOM 13 N LIG 1 -4.133 0.060 -0.805 0.00 0.00 -0.285 N ATOM 14 C LIG 1 -4.519 1.377 -0.648 0.00 0.00 +0.164 A ATOM 15 N LIG 1 -5.815 1.482 -0.843 0.00 0.00 -0.129 NA ATOM 16 N LIG 1 -6.303 0.228 -1.128 0.00 0.00 -0.134 NA ATOM 17 C LIG 1 -3.513 2.337 -0.319 0.00 0.00 -0.004 A ATOM 18 C LIG 1 -3.832 3.796 -0.117 0.00 0.00 +0.047 C ATOM 19 C LIG 1 -5.295 -0.621 -1.101 0.00 0.00 +0.135 A ATOM 20 C LIG 1 -5.371 -2.078 -1.341 0.00 0.00 +0.088 C ATOM 21 C LIG 1 -2.239 1.889 -0.185 0.00 0.00 +0.032 A ENDBRANCH 4 11 BRANCH 5 22 ATOM 22 C LIG 1 -0.621 -2.247 0.819 0.00 0.00 -0.021 A ATOM 23 C LIG 1 -0.781 -1.792 2.140 0.00 0.00 +0.007 A ATOM 24 C LIG 1 -1.281 -2.640 3.131 0.00 0.00 +0.020 A ATOM 25 C LIG 1 -1.617 -3.954 2.815 0.00 0.00 +0.041 A ATOM 26 CL LIG 1 -2.232 -4.998 4.035 0.00 0.00 -0.084 Cl ATOM 27 C LIG 1 -1.454 -4.428 1.516 0.00 0.00 +0.020 A ATOM 28 C LIG 1 -0.954 -3.581 0.523 0.00 0.00 +0.007 A ENDBRANCH 5 22 BRANCH 1 30 ATOM 29 C LIG 1 5.121 1.457 -0.718 0.00 0.00 +0.224 A ATOM 30 C LIG 1 4.081 1.217 0.182 0.00 0.00 +0.064 A ATOM 31 C LIG 1 3.923 2.117 1.244 0.00 0.00 +0.017 A ATOM 32 C LIG 1 4.794 3.195 1.374 0.00 0.00 +0.021 A ATOM 33 C LIG 1 5.798 3.343 0.433 0.00 0.00 +0.114 A ATOM 34 N LIG 1 5.980 2.505 -0.609 0.00 0.00 -0.221 NA BRANCH 29 36 ATOM 35 C LIG 1 6.413 0.870 -2.586 0.00 0.00 +0.279 C ATOM 36 O LIG 1 5.244 0.623 -1.815 0.00 0.00 -0.479 OA ENDBRANCH 29 36 ENDBRANCH 1 30 TORSDOF 4