REMARK Name = BDB040278 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.992 -1.496 -0.125 0.00 0.00 -0.032 A ATOM 2 C LIG 1 2.619 -0.450 0.751 0.00 0.00 +0.017 A ATOM 3 C LIG 1 1.281 -0.024 0.891 0.00 0.00 +0.061 A ATOM 4 C LIG 1 0.316 -0.708 0.158 0.00 0.00 -0.006 A ATOM 5 C LIG 1 -1.167 -0.521 0.104 0.00 0.00 +0.150 C ATOM 6 N LIG 1 -1.608 -1.558 -0.823 0.00 0.00 -0.263 N ATOM 7 C LIG 1 -0.529 -2.296 -1.314 0.00 0.00 +0.251 C ATOM 8 O LIG 1 -0.479 -3.215 -2.111 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 0.680 -1.748 -0.686 0.00 0.00 +0.043 A ATOM 10 C LIG 1 1.992 -2.158 -0.853 0.00 0.00 +0.018 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -2.985 -1.786 -1.092 0.00 0.00 +0.037 A ATOM 12 C LIG 1 -3.960 -0.887 -0.625 0.00 0.00 +0.027 A ATOM 13 C LIG 1 -5.352 -1.079 -0.787 0.00 0.00 -0.039 A ATOM 14 C LIG 1 -5.732 -2.248 -1.468 0.00 0.00 +0.004 A ATOM 15 C LIG 1 -4.788 -3.142 -1.977 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -3.425 -2.909 -1.793 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 -6.428 -0.010 -0.196 0.00 0.00 +0.003 C ATOM 18 C LIG 1 -6.170 1.508 -0.556 0.00 0.00 +0.012 C ATOM 19 C LIG 1 -7.043 1.297 -1.809 0.00 0.00 +0.002 C ATOM 20 C LIG 1 -7.760 0.178 -1.030 0.00 0.00 +0.012 C BRANCH 17 21 ATOM 21 C LIG 1 -6.714 -0.299 1.296 0.00 0.00 +0.088 C BRANCH 21 22 ATOM 22 C LIG 1 -5.661 0.218 2.225 0.00 0.00 +0.134 A ATOM 23 N LIG 1 -5.824 1.246 3.119 0.00 0.00 -0.320 N ATOM 24 C LIG 1 -7.010 2.021 3.370 0.00 0.00 +0.151 C ATOM 25 C LIG 1 -4.626 1.401 3.748 0.00 0.00 +0.224 A ATOM 26 N LIG 1 -3.773 0.520 3.286 0.00 0.00 -0.138 NA ATOM 27 N LIG 1 -4.431 -0.238 2.351 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 0.938 1.107 1.823 0.00 0.00 +0.418 C ATOM 29 F LIG 1 1.867 2.104 1.817 0.00 0.00 -0.166 F ATOM 30 F LIG 1 0.837 0.702 3.118 0.00 0.00 -0.166 F ATOM 31 F LIG 1 -0.244 1.714 1.526 0.00 0.00 -0.166 F ENDBRANCH 3 28 BRANCH 1 32 ATOM 32 C LIG 1 4.439 -1.929 -0.281 0.00 0.00 +0.120 C BRANCH 32 34 ATOM 33 C LIG 1 6.052 -0.055 -0.012 0.00 0.00 +0.074 C ATOM 34 N LIG 1 5.359 -0.988 -0.928 0.00 0.00 -0.293 NA ATOM 35 C LIG 1 4.867 -0.364 -2.158 0.00 0.00 +0.100 C ATOM 36 C LIG 1 4.193 1.026 -2.014 0.00 0.00 +0.099 C ATOM 37 N LIG 1 4.641 1.818 -0.852 0.00 0.00 -0.303 NA ATOM 38 C LIG 1 4.518 3.249 -1.100 0.00 0.00 +0.105 C ATOM 39 C LIG 1 6.009 1.438 -0.470 0.00 0.00 +0.103 C BRANCH 33 41 ATOM 40 C LIG 1 8.369 -0.674 -1.003 0.00 0.00 +0.009 C ATOM 41 C LIG 1 7.497 -0.578 0.255 0.00 0.00 +0.001 C ATOM 42 C LIG 1 8.222 0.254 1.318 0.00 0.00 +0.009 C ENDBRANCH 33 41 ENDBRANCH 32 34 ENDBRANCH 1 32 TORSDOF 8