REMARK Name = BDB041079 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.199 -0.023 0.835 0.00 0.00 +0.169 A ATOM 2 N LIG 1 -2.166 0.599 0.231 0.00 0.00 -0.209 NA ATOM 3 C LIG 1 -1.510 1.550 0.922 0.00 0.00 +0.167 A ATOM 4 N LIG 1 -0.409 2.195 0.324 0.00 0.00 -0.309 N ATOM 5 C LIG 1 -0.096 3.468 0.974 0.00 0.00 +0.147 C ATOM 6 C LIG 1 -0.040 3.260 2.486 0.00 0.00 +0.248 C ATOM 7 O LIG 1 -1.305 2.833 3.009 0.00 0.00 -0.485 OA ATOM 8 C LIG 1 -1.892 1.876 2.225 0.00 0.00 +0.178 A ATOM 9 C LIG 1 -2.979 1.203 2.739 0.00 0.00 +0.162 A ATOM 10 N LIG 1 -3.656 0.254 2.069 0.00 0.00 -0.232 NA ENDROOT BRANCH 1 12 ATOM 11 C LIG 1 -3.884 -2.376 0.407 0.00 0.00 +0.229 A ATOM 12 C LIG 1 -3.903 -1.031 0.065 0.00 0.00 +0.102 A ATOM 13 C LIG 1 -4.638 -0.716 -1.078 0.00 0.00 +0.062 A ATOM 14 N LIG 1 -5.279 -1.675 -1.798 0.00 0.00 -0.239 NA ATOM 15 C LIG 1 -5.188 -2.937 -1.362 0.00 0.00 +0.225 A ATOM 16 N LIG 1 -4.516 -3.346 -0.285 0.00 0.00 -0.201 NA BRANCH 13 17 ATOM 17 C LIG 1 -4.760 0.711 -1.589 0.00 0.00 +0.039 C ATOM 18 C LIG 1 -5.570 1.726 -0.814 0.00 0.00 +0.010 C ATOM 19 C LIG 1 -6.079 1.217 -2.127 0.00 0.00 +0.010 C ENDBRANCH 13 17 BRANCH 11 21 ATOM 20 C LIG 1 -3.200 -4.132 1.818 0.00 0.00 +0.279 C ATOM 21 O LIG 1 -3.134 -2.744 1.512 0.00 0.00 -0.479 OA ENDBRANCH 11 21 ENDBRANCH 1 12 BRANCH 4 22 ATOM 22 C LIG 1 -0.284 2.111 -1.133 0.00 0.00 +0.110 C BRANCH 22 23 ATOM 23 C LIG 1 0.897 1.217 -1.575 0.00 0.00 +0.006 C ATOM 24 C LIG 1 0.712 -0.263 -1.199 0.00 0.00 +0.006 C ATOM 25 C LIG 1 2.043 -1.009 -1.171 0.00 0.00 +0.011 C ATOM 26 C LIG 1 2.929 -0.444 -0.053 0.00 0.00 +0.055 C ATOM 27 C LIG 1 2.889 1.090 0.055 0.00 0.00 +0.011 C ATOM 28 C LIG 1 2.274 1.776 -1.164 0.00 0.00 +0.006 C BRANCH 26 29 ATOM 29 C LIG 1 4.319 -1.033 -0.063 0.00 0.00 +0.113 A ATOM 30 N LIG 1 5.329 -0.774 -0.963 0.00 0.00 -0.337 N ATOM 31 C LIG 1 5.316 0.129 -2.087 0.00 0.00 +0.150 C ATOM 32 C LIG 1 6.417 -1.527 -0.606 0.00 0.00 +0.119 A ATOM 33 C LIG 1 6.041 -2.236 0.518 0.00 0.00 +0.162 A ATOM 34 N LIG 1 4.734 -1.909 0.835 0.00 0.00 -0.228 NA BRANCH 33 35 ATOM 35 C LIG 1 6.846 -3.214 1.325 0.00 0.00 +0.436 C ATOM 36 F LIG 1 6.285 -4.451 1.356 0.00 0.00 -0.164 F ATOM 37 F LIG 1 8.101 -3.375 0.817 0.00 0.00 -0.164 F ATOM 38 F LIG 1 7.006 -2.816 2.615 0.00 0.00 -0.164 F ENDBRANCH 33 35 ENDBRANCH 26 29 ENDBRANCH 22 23 ENDBRANCH 4 22 TORSDOF 7