REMARK Name = BDB035655 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.717 0.606 -1.526 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.383 -0.000 -0.308 0.00 0.00 +0.251 C ATOM 3 O LIG 1 1.081 -0.424 0.594 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -1.083 -0.072 -0.254 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -1.889 -0.579 0.750 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -3.279 -0.530 0.567 0.00 0.00 -0.032 A ATOM 7 C LIG 1 -3.807 0.042 -0.615 0.00 0.00 +0.017 A ATOM 8 C LIG 1 -2.973 0.552 -1.629 0.00 0.00 +0.061 A ATOM 9 C LIG 1 -1.598 0.480 -1.421 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.475 0.930 -2.299 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 4.475 0.903 -1.692 0.00 0.00 -0.007 A ATOM 12 C LIG 1 3.170 0.617 -1.235 0.00 0.00 +0.030 A ATOM 13 C LIG 1 2.027 0.895 -2.001 0.00 0.00 +0.037 A ATOM 14 C LIG 1 2.215 1.474 -3.265 0.00 0.00 +0.023 A ATOM 15 C LIG 1 3.495 1.746 -3.750 0.00 0.00 +0.002 A ATOM 16 C LIG 1 4.614 1.457 -2.974 0.00 0.00 +0.007 A BRANCH 11 17 ATOM 17 C LIG 1 5.717 0.588 -0.847 0.00 0.00 +0.147 C ATOM 18 C LIG 1 6.625 1.824 -0.701 0.00 0.00 +0.055 C BRANCH 17 21 ATOM 19 C LIG 1 5.234 -2.501 -0.365 0.00 0.00 +0.151 C ATOM 20 N LIG 1 6.246 -1.905 -1.195 0.00 0.00 -0.318 N ATOM 21 C LIG 1 6.493 -0.572 -1.422 0.00 0.00 +0.169 A ATOM 22 N LIG 1 7.495 -0.484 -2.284 0.00 0.00 -0.131 NA ATOM 23 N LIG 1 7.921 -1.753 -2.592 0.00 0.00 -0.138 NA ATOM 24 C LIG 1 7.159 -2.594 -1.935 0.00 0.00 +0.224 A ENDBRANCH 17 21 BRANCH 17 25 ATOM 25 O LIG 1 5.350 0.230 0.493 0.00 0.00 -0.376 OA ATOM 26 H LIG 1 4.856 0.986 0.855 0.00 0.00 +0.211 HD ENDBRANCH 17 25 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 27 ATOM 27 C LIG 1 -3.534 1.156 -2.889 0.00 0.00 +0.418 C ATOM 28 F LIG 1 -4.893 1.159 -2.938 0.00 0.00 -0.166 F ATOM 29 F LIG 1 -3.116 0.498 -4.005 0.00 0.00 -0.166 F ATOM 30 F LIG 1 -3.146 2.450 -3.054 0.00 0.00 -0.166 F ENDBRANCH 8 27 BRANCH 6 31 ATOM 31 C LIG 1 -4.203 -1.061 1.643 0.00 0.00 +0.116 C BRANCH 31 32 ATOM 32 N LIG 1 -4.228 -0.154 2.791 0.00 0.00 -0.307 NA ATOM 33 H LIG 1 -4.338 0.801 2.449 0.00 0.00 +0.123 HD BRANCH 32 34 ATOM 34 C LIG 1 -5.233 -0.551 3.791 0.00 0.00 +0.017 C ATOM 35 C LIG 1 -5.340 0.613 4.822 0.00 0.00 +0.022 C ATOM 36 C LIG 1 -6.874 0.496 4.697 0.00 0.00 +0.004 C ATOM 37 C LIG 1 -6.653 -0.139 3.308 0.00 0.00 +0.022 C ATOM 38 C LIG 1 -5.031 -1.928 4.399 0.00 0.00 +0.027 C ENDBRANCH 32 34 ENDBRANCH 31 32 ENDBRANCH 6 31 TORSDOF 8