REMARK Name = BDB006217 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 2.137 -1.202 0.215 0.00 0.00 -0.232 N ATOM 2 C LIG 1 1.474 -0.016 -0.162 0.00 0.00 +0.054 A ATOM 3 C LIG 1 0.160 -0.239 0.202 0.00 0.00 +0.031 A ATOM 4 C LIG 1 -1.195 0.368 0.244 0.00 0.00 +0.146 C ATOM 5 N LIG 1 -2.034 -0.765 0.766 0.00 0.00 -0.253 N ATOM 6 C LIG 1 -1.254 -1.946 0.960 0.00 0.00 +0.272 C ATOM 7 O LIG 1 -1.604 -3.050 1.347 0.00 0.00 -0.268 OA ATOM 8 C LIG 1 0.093 -1.563 0.606 0.00 0.00 +0.154 A ATOM 9 N LIG 1 1.248 -2.204 0.512 0.00 0.00 -0.161 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -3.401 -0.653 1.045 0.00 0.00 +0.055 A ATOM 11 C LIG 1 -4.174 -1.695 1.411 0.00 0.00 +0.112 A ATOM 12 N LIG 1 -5.533 -1.577 1.677 0.00 0.00 -0.315 N ATOM 13 C LIG 1 -6.264 -2.778 2.055 0.00 0.00 +0.152 C ATOM 14 C LIG 1 -6.217 -0.365 1.580 0.00 0.00 +0.270 A ATOM 15 O LIG 1 -7.419 -0.236 1.798 0.00 0.00 -0.266 OA ATOM 16 C LIG 1 -5.369 0.802 1.188 0.00 0.00 +0.107 A ATOM 17 CL LIG 1 -6.110 2.352 1.065 0.00 0.00 -0.078 Cl ATOM 18 C LIG 1 -4.059 0.642 0.948 0.00 0.00 +0.050 A ENDBRANCH 5 10 BRANCH 4 19 ATOM 19 C LIG 1 -1.533 0.794 -1.181 0.00 0.00 -0.019 A ATOM 20 C LIG 1 -1.575 2.161 -1.555 0.00 0.00 -0.044 A ATOM 21 C LIG 1 -1.294 3.277 -0.582 0.00 0.00 +0.044 C ATOM 22 C LIG 1 -1.916 2.509 -2.875 0.00 0.00 +0.023 A ATOM 23 C LIG 1 -2.194 1.527 -3.823 0.00 0.00 +0.041 A ATOM 24 CL LIG 1 -2.599 1.981 -5.432 0.00 0.00 -0.084 Cl ATOM 25 C LIG 1 -2.145 0.185 -3.474 0.00 0.00 +0.020 A ATOM 26 C LIG 1 -1.820 -0.178 -2.167 0.00 0.00 +0.007 A ENDBRANCH 4 19 BRANCH 1 28 ATOM 27 C LIG 1 4.420 -0.712 0.987 0.00 0.00 +0.145 A ATOM 28 C LIG 1 3.518 -1.507 0.266 0.00 0.00 +0.107 A ATOM 29 C LIG 1 3.949 -2.687 -0.362 0.00 0.00 +0.031 A ATOM 30 C LIG 1 5.301 -3.022 -0.361 0.00 0.00 +0.002 A ATOM 31 C LIG 1 6.215 -2.197 0.286 0.00 0.00 +0.004 A ATOM 32 C LIG 1 5.778 -1.054 0.964 0.00 0.00 +0.048 A BRANCH 27 34 ATOM 33 C LIG 1 4.749 0.897 2.716 0.00 0.00 +0.277 C ATOM 34 O LIG 1 3.902 0.309 1.736 0.00 0.00 -0.493 OA ENDBRANCH 27 34 ENDBRANCH 1 28 BRANCH 2 35 ATOM 35 C LIG 1 2.047 1.150 -0.934 0.00 0.00 +0.032 C ATOM 36 C LIG 1 3.072 0.768 -2.001 0.00 0.00 +0.014 C ATOM 37 C LIG 1 2.537 2.299 -0.060 0.00 0.00 +0.014 C ENDBRANCH 2 35 TORSDOF 5