REMARK Name = BDB021910 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.984 0.207 -1.929 0.00 0.00 -0.309 NA ATOM 2 H LIG 1 2.290 -0.758 -1.810 0.00 0.00 +0.123 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 0.642 0.364 -1.343 0.00 0.00 +0.056 C ATOM 4 C LIG 1 0.027 1.740 -1.659 0.00 0.00 +0.034 C ATOM 5 C LIG 1 -1.505 1.709 -1.740 0.00 0.00 +0.086 C ATOM 6 N LIG 1 -2.049 0.719 -0.812 0.00 0.00 -0.298 NA ATOM 7 C LIG 1 -1.666 -0.648 -1.208 0.00 0.00 +0.086 C ATOM 8 C LIG 1 -0.281 -0.738 -1.868 0.00 0.00 +0.034 C BRANCH 6 9 ATOM 9 C LIG 1 -3.509 0.860 -0.677 0.00 0.00 +0.119 C BRANCH 9 10 ATOM 10 C LIG 1 -4.093 0.018 0.439 0.00 0.00 -0.033 A ATOM 11 C LIG 1 -5.079 -0.942 0.170 0.00 0.00 +0.005 A ATOM 12 C LIG 1 -5.622 -1.707 1.204 0.00 0.00 +0.000 A ATOM 13 C LIG 1 -5.188 -1.520 2.515 0.00 0.00 +0.000 A ATOM 14 C LIG 1 -4.210 -0.567 2.795 0.00 0.00 +0.000 A ATOM 15 C LIG 1 -3.667 0.199 1.764 0.00 0.00 +0.005 A ENDBRANCH 9 10 ENDBRANCH 6 9 ENDBRANCH 1 3 BRANCH 1 16 ATOM 16 C LIG 1 3.001 1.090 -1.354 0.00 0.00 +0.116 C BRANCH 16 19 ATOM 17 C LIG 1 4.674 -0.813 1.518 0.00 0.00 +0.055 A ATOM 18 C LIG 1 4.279 -0.418 0.229 0.00 0.00 +0.017 A ATOM 19 C LIG 1 3.435 0.687 0.037 0.00 0.00 -0.033 A ATOM 20 C LIG 1 2.988 1.400 1.158 0.00 0.00 +0.005 A ATOM 21 C LIG 1 3.381 1.022 2.442 0.00 0.00 +0.001 A ATOM 22 C LIG 1 4.222 -0.076 2.622 0.00 0.00 +0.012 A BRANCH 17 24 ATOM 23 F LIG 1 6.911 -1.641 1.595 0.00 0.00 -0.166 F ATOM 24 C LIG 1 5.599 -1.990 1.705 0.00 0.00 +0.417 C ATOM 25 F LIG 1 5.473 -2.587 2.923 0.00 0.00 -0.166 F ATOM 26 F LIG 1 5.397 -2.977 0.787 0.00 0.00 -0.166 F ENDBRANCH 17 24 ENDBRANCH 16 19 ENDBRANCH 1 16 TORSDOF 6