REMARK Name = BDB026214 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.941 -2.251 0.423 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -2.009 -0.926 -0.089 0.00 0.00 +0.056 A ATOM 3 C LIG 1 -0.834 -0.217 -0.343 0.00 0.00 +0.036 A ATOM 4 C LIG 1 0.433 -0.782 -0.092 0.00 0.00 +0.022 A ATOM 5 C LIG 1 0.477 -2.082 0.426 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.660 -2.662 0.687 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.684 -2.814 0.673 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -4.814 -6.297 0.229 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -4.590 -4.934 0.874 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -4.512 -5.054 2.355 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -5.839 -5.248 2.949 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -3.822 -3.892 2.985 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -2.487 -4.389 3.546 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -3.642 -2.627 2.095 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -3.145 -2.916 0.726 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -3.296 -4.309 0.272 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 1.653 -0.030 -0.392 0.00 0.00 +0.021 A ATOM 18 C LIG 1 2.629 0.256 0.536 0.00 0.00 +0.124 A ATOM 19 N LIG 1 3.737 0.987 0.277 0.00 0.00 -0.222 NA ATOM 20 C LIG 1 3.909 1.455 -0.973 0.00 0.00 +0.218 A ATOM 21 N LIG 1 3.020 1.213 -1.951 0.00 0.00 -0.222 NA ATOM 22 C LIG 1 1.929 0.484 -1.643 0.00 0.00 +0.124 A BRANCH 20 23 ATOM 23 N LIG 1 5.016 2.231 -1.256 0.00 0.00 -0.299 N ATOM 24 C LIG 1 6.113 2.233 -0.291 0.00 0.00 +0.111 C ATOM 25 C LIG 1 7.459 2.353 -0.999 0.00 0.00 +0.053 C ATOM 26 C LIG 1 7.531 3.553 -1.959 0.00 0.00 +0.066 C ATOM 27 C LIG 1 8.003 4.826 -1.232 0.00 0.00 +0.041 C ATOM 28 C LIG 1 6.198 3.814 -2.682 0.00 0.00 +0.053 C ATOM 29 C LIG 1 5.283 2.587 -2.646 0.00 0.00 +0.111 C BRANCH 26 30 ATOM 30 O LIG 1 8.510 3.248 -2.962 0.00 0.00 -0.389 OA ATOM 31 H LIG 1 9.367 3.116 -2.517 0.00 0.00 +0.210 HD ENDBRANCH 26 30 ENDBRANCH 20 23 ENDBRANCH 4 17 BRANCH 2 32 ATOM 32 N LIG 1 -3.311 -0.463 -0.383 0.00 0.00 -0.280 N ATOM 33 H LIG 1 -3.995 -1.217 -0.358 0.00 0.00 +0.155 HD ATOM 34 C LIG 1 -3.849 0.734 -0.748 0.00 0.00 +0.250 C ATOM 35 O LIG 1 -5.005 0.797 -1.154 0.00 0.00 -0.270 OA BRANCH 34 36 ATOM 36 C LIG 1 -3.079 1.987 -0.559 0.00 0.00 +0.065 A ATOM 37 C LIG 1 -2.966 2.631 0.742 0.00 0.00 +0.073 A ATOM 38 C LIG 1 -2.225 3.751 0.844 0.00 0.00 +0.083 A ATOM 39 C LIG 1 -1.536 4.337 -0.339 0.00 0.00 +0.252 A ATOM 40 O LIG 1 -0.837 5.338 -0.180 0.00 0.00 -0.268 OA ATOM 41 N LIG 1 -1.756 3.687 -1.554 0.00 0.00 -0.318 N ATOM 42 C LIG 1 -1.094 4.194 -2.755 0.00 0.00 +0.152 C ATOM 43 C LIG 1 -2.530 2.543 -1.652 0.00 0.00 +0.102 A BRANCH 37 44 ATOM 44 C LIG 1 -3.729 2.074 1.913 0.00 0.00 +0.418 C ATOM 45 F LIG 1 -5.069 2.036 1.685 0.00 0.00 -0.166 F ATOM 46 F LIG 1 -3.551 2.822 3.047 0.00 0.00 -0.166 F ATOM 47 F LIG 1 -3.350 0.816 2.232 0.00 0.00 -0.166 F ENDBRANCH 37 44 ENDBRANCH 34 36 ENDBRANCH 2 32 TORSDOF 7