REMARK Name = BDB028044 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.803 -1.283 0.198 0.00 0.00 -0.032 A ATOM 2 C LIG 1 3.189 -2.069 -0.805 0.00 0.00 +0.017 A ATOM 3 C LIG 1 1.793 -2.063 -1.002 0.00 0.00 +0.061 A ATOM 4 C LIG 1 1.033 -1.254 -0.162 0.00 0.00 -0.006 A ATOM 5 C LIG 1 -0.446 -1.040 -0.124 0.00 0.00 +0.150 C ATOM 6 N LIG 1 -0.627 -0.091 0.968 0.00 0.00 -0.263 N ATOM 7 C LIG 1 0.598 0.253 1.550 0.00 0.00 +0.251 C ATOM 8 O LIG 1 0.867 1.003 2.470 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 1.639 -0.488 0.826 0.00 0.00 +0.043 A ATOM 10 C LIG 1 3.006 -0.482 1.030 0.00 0.00 +0.018 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -1.911 0.382 1.356 0.00 0.00 +0.037 A ATOM 12 C LIG 1 -3.068 -0.034 0.668 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -4.386 0.392 0.991 0.00 0.00 -0.035 A ATOM 14 C LIG 1 -4.480 1.269 2.088 0.00 0.00 +0.004 A ATOM 15 C LIG 1 -3.353 1.701 2.788 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -2.082 1.263 2.421 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 -5.689 -0.152 0.120 0.00 0.00 +0.049 C ATOM 18 C LIG 1 -5.450 -0.274 -1.416 0.00 0.00 +0.174 C ATOM 19 O LIG 1 -5.139 -1.685 -1.282 0.00 0.00 -0.378 OA ATOM 20 C LIG 1 -5.788 -1.706 0.023 0.00 0.00 +0.174 C BRANCH 17 21 ATOM 21 C LIG 1 -6.971 0.596 0.528 0.00 0.00 +0.092 C BRANCH 21 22 ATOM 22 C LIG 1 -8.215 0.264 -0.224 0.00 0.00 +0.134 A ATOM 23 N LIG 1 -8.815 1.056 -1.170 0.00 0.00 -0.320 N ATOM 24 C LIG 1 -8.385 2.344 -1.644 0.00 0.00 +0.151 C ATOM 25 C LIG 1 -9.924 0.384 -1.581 0.00 0.00 +0.224 A ATOM 26 N LIG 1 -10.017 -0.747 -0.925 0.00 0.00 -0.138 NA ATOM 27 N LIG 1 -8.950 -0.818 -0.063 0.00 0.00 -0.135 NA ENDBRANCH 21 22 ENDBRANCH 17 21 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 3 28 ATOM 28 C LIG 1 1.141 -2.896 -2.073 0.00 0.00 +0.418 C ATOM 29 F LIG 1 2.024 -3.597 -2.834 0.00 0.00 -0.166 F ATOM 30 F LIG 1 0.414 -2.140 -2.941 0.00 0.00 -0.166 F ATOM 31 F LIG 1 0.276 -3.810 -1.558 0.00 0.00 -0.166 F ENDBRANCH 3 28 BRANCH 1 32 ATOM 32 C LIG 1 5.307 -1.320 0.392 0.00 0.00 +0.119 C BRANCH 32 40 ATOM 33 C LIG 1 9.383 1.329 1.300 0.00 0.00 +0.015 C ATOM 34 C LIG 1 8.094 1.197 0.492 0.00 0.00 +0.069 C ATOM 35 C LIG 1 8.377 1.033 -0.998 0.00 0.00 +0.254 C ATOM 36 F LIG 1 9.476 0.249 -1.185 0.00 0.00 -0.205 F ATOM 37 F LIG 1 8.691 2.246 -1.524 0.00 0.00 -0.205 F ATOM 38 C LIG 1 7.234 0.413 -1.785 0.00 0.00 +0.091 C ATOM 39 C LIG 1 5.916 0.585 -1.048 0.00 0.00 +0.090 C ATOM 40 N LIG 1 5.930 0.009 0.305 0.00 0.00 -0.298 NA ATOM 41 C LIG 1 7.252 0.010 0.953 0.00 0.00 +0.093 C ENDBRANCH 32 40 ENDBRANCH 1 32 TORSDOF 7