REMARK Name = BDB035715 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.118 1.068 0.433 0.00 0.00 -0.263 N ATOM 2 C LIG 1 -1.390 1.443 0.882 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -1.738 2.192 1.776 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -2.367 0.741 0.041 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -3.748 0.781 0.105 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -4.470 0.010 -0.815 0.00 0.00 -0.032 A ATOM 7 C LIG 1 -3.773 -0.781 -1.762 0.00 0.00 +0.017 A ATOM 8 C LIG 1 -2.366 -0.808 -1.815 0.00 0.00 +0.061 A ATOM 9 C LIG 1 -1.679 -0.029 -0.889 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.208 0.140 -0.687 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 3.592 1.448 0.922 0.00 0.00 -0.032 A ATOM 12 C LIG 1 2.340 1.051 0.407 0.00 0.00 +0.028 A ATOM 13 C LIG 1 1.129 1.492 0.971 0.00 0.00 +0.037 A ATOM 14 C LIG 1 1.202 2.350 2.074 0.00 0.00 +0.023 A ATOM 15 C LIG 1 2.433 2.749 2.601 0.00 0.00 +0.002 A ATOM 16 C LIG 1 3.620 2.300 2.033 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 4.881 0.931 0.277 0.00 0.00 +0.119 C BRANCH 17 18 ATOM 18 C LIG 1 5.949 1.988 0.155 0.00 0.00 +0.143 A ATOM 19 N LIG 1 5.848 3.117 -0.624 0.00 0.00 -0.320 N ATOM 20 C LIG 1 4.743 3.533 -1.446 0.00 0.00 +0.151 C ATOM 21 C LIG 1 7.016 3.796 -0.466 0.00 0.00 +0.224 A ATOM 22 N LIG 1 7.801 3.134 0.347 0.00 0.00 -0.138 NA ATOM 23 N LIG 1 7.133 1.999 0.737 0.00 0.00 -0.134 NA ENDBRANCH 17 18 BRANCH 17 26 ATOM 24 C LIG 1 5.818 -2.428 0.551 0.00 0.00 +0.123 C ATOM 25 C LIG 1 4.505 -1.629 0.679 0.00 0.00 +0.067 C ATOM 26 C LIG 1 5.356 -0.361 1.002 0.00 0.00 +0.084 C ATOM 27 C LIG 1 6.535 -1.089 0.286 0.00 0.00 +0.067 C BRANCH 24 29 ATOM 28 C LIG 1 7.059 -4.102 -0.683 0.00 0.00 +0.194 C ATOM 29 O LIG 1 5.839 -3.390 -0.524 0.00 0.00 -0.380 OA ENDBRANCH 24 29 BRANCH 26 30 ATOM 30 O LIG 1 5.576 -0.162 2.426 0.00 0.00 -0.387 OA ATOM 31 H LIG 1 4.702 0.033 2.806 0.00 0.00 +0.210 HD ENDBRANCH 26 30 ENDBRANCH 17 26 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 32 ATOM 32 C LIG 1 -1.628 -1.655 -2.816 0.00 0.00 +0.418 C ATOM 33 F LIG 1 -2.430 -2.249 -3.739 0.00 0.00 -0.166 F ATOM 34 F LIG 1 -0.714 -0.932 -3.522 0.00 0.00 -0.166 F ATOM 35 F LIG 1 -0.923 -2.656 -2.220 0.00 0.00 -0.166 F ENDBRANCH 8 32 BRANCH 6 36 ATOM 36 C LIG 1 -5.983 -0.009 -0.780 0.00 0.00 +0.116 C BRANCH 36 37 ATOM 37 N LIG 1 -6.457 -1.284 -0.240 0.00 0.00 -0.307 NA ATOM 38 H LIG 1 -5.965 -1.461 0.637 0.00 0.00 +0.123 HD BRANCH 37 39 ATOM 39 C LIG 1 -7.924 -1.327 -0.118 0.00 0.00 +0.017 C ATOM 40 C LIG 1 -8.277 -2.584 0.735 0.00 0.00 +0.022 C ATOM 41 C LIG 1 -9.238 -1.686 1.542 0.00 0.00 +0.004 C ATOM 42 C LIG 1 -8.385 -0.478 1.102 0.00 0.00 +0.022 C ATOM 43 C LIG 1 -8.681 -1.210 -1.428 0.00 0.00 +0.027 C ENDBRANCH 37 39 ENDBRANCH 36 37 ENDBRANCH 6 36 TORSDOF 10