REMARK Name = BDB025970 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.796 -0.568 -0.115 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -1.107 0.664 -0.047 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.287 0.691 0.082 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.040 -0.498 0.129 0.00 0.00 +0.022 A ATOM 5 C LIG 1 0.331 -1.707 0.049 0.00 0.00 +0.133 A ATOM 6 F LIG 1 0.988 -2.877 0.072 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -1.058 -1.751 -0.070 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -5.020 -2.842 -2.741 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -4.459 -2.430 -1.375 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -5.566 -2.434 -0.372 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -5.718 -3.771 0.209 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -5.388 -1.353 0.641 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -6.191 -1.530 1.935 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -3.895 -1.077 0.965 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -3.204 -0.547 -0.234 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -3.721 -1.068 -1.524 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 2.505 -0.465 0.256 0.00 0.00 +0.021 A ATOM 18 C LIG 1 3.228 -1.332 1.050 0.00 0.00 +0.124 A ATOM 19 N LIG 1 4.574 -1.319 1.183 0.00 0.00 -0.222 NA ATOM 20 C LIG 1 5.266 -0.396 0.496 0.00 0.00 +0.218 A ATOM 21 N LIG 1 4.658 0.492 -0.307 0.00 0.00 -0.222 NA ATOM 22 C LIG 1 3.310 0.440 -0.406 0.00 0.00 +0.124 A BRANCH 20 23 ATOM 23 N LIG 1 6.653 -0.343 0.639 0.00 0.00 -0.297 N ATOM 24 C LIG 1 7.343 0.331 -0.468 0.00 0.00 +0.123 C ATOM 25 C LIG 1 8.866 0.415 -0.208 0.00 0.00 +0.103 C ATOM 26 N LIG 1 9.524 -0.857 0.166 0.00 0.00 -0.302 NA ATOM 27 C LIG 1 9.603 -1.776 -0.967 0.00 0.00 +0.105 C ATOM 28 C LIG 1 8.781 -1.450 1.300 0.00 0.00 +0.103 C ATOM 29 C LIG 1 7.255 -1.602 1.095 0.00 0.00 +0.123 C ENDBRANCH 20 23 ENDBRANCH 4 17 BRANCH 2 30 ATOM 30 N LIG 1 -1.916 1.819 -0.116 0.00 0.00 -0.280 N ATOM 31 H LIG 1 -2.905 1.580 -0.193 0.00 0.00 +0.155 HD ATOM 32 C LIG 1 -1.511 3.130 -0.185 0.00 0.00 +0.249 C ATOM 33 O LIG 1 -0.365 3.557 -0.232 0.00 0.00 -0.270 OA BRANCH 32 34 ATOM 34 C LIG 1 -2.618 4.113 -0.283 0.00 0.00 +0.049 A ATOM 35 C LIG 1 -3.616 4.238 0.700 0.00 0.00 +0.070 A ATOM 36 C LIG 1 -4.630 5.194 0.503 0.00 0.00 +0.051 A ATOM 37 C LIG 1 -4.622 6.010 -0.625 0.00 0.00 +0.124 A ATOM 38 F LIG 1 -5.595 6.914 -0.788 0.00 0.00 -0.205 F ATOM 39 C LIG 1 -3.619 5.904 -1.579 0.00 0.00 +0.039 A ATOM 40 C LIG 1 -2.611 4.957 -1.407 0.00 0.00 +0.016 A BRANCH 35 41 ATOM 41 C LIG 1 -3.626 3.386 1.939 0.00 0.00 +0.418 C ATOM 42 F LIG 1 -2.408 3.242 2.520 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -4.088 2.131 1.685 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -4.441 3.879 2.916 0.00 0.00 -0.166 F ENDBRANCH 35 41 ENDBRANCH 32 34 ENDBRANCH 2 30 TORSDOF 6