REMARK Name = BDB006063 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -7.811 0.141 -1.389 0.00 0.00 -0.266 OA ATOM 2 C LIG 1 -6.596 0.147 -1.231 0.00 0.00 +0.273 A ATOM 3 C LIG 1 -6.004 0.388 0.092 0.00 0.00 +0.053 A ATOM 4 C LIG 1 -4.625 0.382 0.196 0.00 0.00 +0.057 A ATOM 5 C LIG 1 -3.962 0.594 1.413 0.00 0.00 +0.077 A ATOM 6 N LIG 1 -2.549 0.585 1.535 0.00 0.00 -0.232 NA ATOM 7 C LIG 1 -1.871 0.368 0.440 0.00 0.00 +0.123 A ATOM 8 N LIG 1 -2.470 0.164 -0.782 0.00 0.00 -0.325 N ATOM 9 H LIG 1 -1.852 -0.030 -1.564 0.00 0.00 +0.169 HD ATOM 10 C LIG 1 -4.744 0.821 2.547 0.00 0.00 +0.028 A ATOM 11 C LIG 1 -6.143 0.832 2.459 0.00 0.00 +0.003 A ATOM 12 C LIG 1 -3.816 0.142 -1.005 0.00 0.00 +0.162 A ATOM 13 N LIG 1 -4.342 -0.074 -2.174 0.00 0.00 -0.153 NA ATOM 14 C LIG 1 -6.777 0.615 1.231 0.00 0.00 +0.014 A ATOM 15 N LIG 1 -5.709 -0.069 -2.265 0.00 0.00 -0.241 N ATOM 16 H LIG 1 -6.100 -0.235 -3.186 0.00 0.00 +0.192 HD ENDROOT BRANCH 7 17 ATOM 17 C LIG 1 -0.344 0.362 0.496 0.00 0.00 +0.155 C BRANCH 17 18 ATOM 18 N LIG 1 0.163 -0.524 -0.568 0.00 0.00 -0.309 NA ATOM 19 H LIG 1 -0.062 -1.490 -0.319 0.00 0.00 +0.122 HD BRANCH 18 20 ATOM 20 C LIG 1 1.617 -0.401 -0.740 0.00 0.00 +0.086 C BRANCH 20 21 ATOM 21 C LIG 1 2.442 -0.992 0.415 0.00 0.00 +0.050 C BRANCH 21 22 ATOM 22 C LIG 1 3.924 -0.920 0.134 0.00 0.00 -0.046 A ATOM 23 C LIG 1 4.662 0.215 0.499 0.00 0.00 +0.016 A ATOM 24 C LIG 1 6.037 0.302 0.223 0.00 0.00 +0.055 A ATOM 25 C LIG 1 6.669 -0.773 -0.418 0.00 0.00 +0.012 A ATOM 26 C LIG 1 5.941 -1.903 -0.789 0.00 0.00 +0.001 A ATOM 27 C LIG 1 4.575 -1.975 -0.517 0.00 0.00 +0.004 A BRANCH 24 28 ATOM 28 C LIG 1 6.826 1.518 0.643 0.00 0.00 +0.417 C ATOM 29 F LIG 1 7.307 1.409 1.912 0.00 0.00 -0.166 F ATOM 30 F LIG 1 7.908 1.756 -0.149 0.00 0.00 -0.166 F ATOM 31 F LIG 1 6.090 2.665 0.620 0.00 0.00 -0.166 F ENDBRANCH 24 28 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 18 20 ENDBRANCH 17 18 ENDBRANCH 7 17 TORSDOF 6