REMARK Name = BDB025817 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.928 -0.982 -0.309 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -1.232 0.097 0.287 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.124 0.313 0.009 0.00 0.00 +0.036 A ATOM 4 C LIG 1 0.827 -0.531 -0.868 0.00 0.00 +0.022 A ATOM 5 C LIG 1 0.130 -1.618 -1.414 0.00 0.00 +0.133 A ATOM 6 F LIG 1 0.752 -2.464 -2.251 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -1.220 -1.847 -1.145 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -6.532 -1.478 -2.041 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -5.643 -1.481 -0.792 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -5.848 -2.747 -0.042 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -7.026 -2.661 0.828 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -4.649 -3.179 0.725 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -4.004 -4.358 -0.022 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -3.599 -2.082 1.071 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -3.305 -1.141 -0.037 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -4.172 -1.255 -1.226 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 2.217 -0.248 -1.245 0.00 0.00 +0.021 A ATOM 18 C LIG 1 2.642 0.998 -1.665 0.00 0.00 +0.124 A ATOM 19 N LIG 1 3.887 1.278 -2.100 0.00 0.00 -0.222 NA ATOM 20 C LIG 1 4.784 0.279 -2.123 0.00 0.00 +0.218 A ATOM 21 N LIG 1 4.484 -0.959 -1.695 0.00 0.00 -0.222 NA ATOM 22 C LIG 1 3.219 -1.194 -1.281 0.00 0.00 +0.124 A BRANCH 20 23 ATOM 23 N LIG 1 6.038 0.524 -2.641 0.00 0.00 -0.298 N ATOM 24 C LIG 1 7.098 -0.462 -2.428 0.00 0.00 +0.123 C ATOM 25 C LIG 1 7.744 -0.376 -1.022 0.00 0.00 +0.103 C ATOM 26 N LIG 1 8.344 0.949 -0.679 0.00 0.00 -0.304 NA ATOM 27 C LIG 1 9.240 0.784 0.474 0.00 0.00 +0.104 C ATOM 28 C LIG 1 7.275 1.919 -0.351 0.00 0.00 +0.085 C ATOM 29 C LIG 1 6.705 2.684 -1.553 0.00 0.00 +0.034 C ATOM 30 C LIG 1 6.464 1.898 -2.854 0.00 0.00 +0.109 C ENDBRANCH 20 23 ENDBRANCH 4 17 BRANCH 2 31 ATOM 31 N LIG 1 -2.003 0.927 1.129 0.00 0.00 -0.280 N ATOM 32 H LIG 1 -2.976 0.630 1.172 0.00 0.00 +0.155 HD ATOM 33 C LIG 1 -1.607 2.053 1.804 0.00 0.00 +0.249 C ATOM 34 O LIG 1 -0.512 2.594 1.808 0.00 0.00 -0.270 OA BRANCH 33 35 ATOM 35 C LIG 1 -2.690 2.667 2.605 0.00 0.00 +0.049 A ATOM 36 C LIG 1 -3.096 2.114 3.837 0.00 0.00 +0.070 A ATOM 37 C LIG 1 -4.145 2.743 4.535 0.00 0.00 +0.051 A ATOM 38 C LIG 1 -4.743 3.893 4.016 0.00 0.00 +0.124 A ATOM 39 F LIG 1 -5.742 4.476 4.694 0.00 0.00 -0.205 F ATOM 40 C LIG 1 -4.320 4.444 2.806 0.00 0.00 +0.039 A ATOM 41 C LIG 1 -3.285 3.833 2.096 0.00 0.00 +0.016 A BRANCH 36 42 ATOM 42 C LIG 1 -2.440 0.880 4.402 0.00 0.00 +0.418 C ATOM 43 F LIG 1 -2.829 0.611 5.684 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -2.756 -0.238 3.691 0.00 0.00 -0.166 F ATOM 45 F LIG 1 -1.081 0.949 4.439 0.00 0.00 -0.166 F ENDBRANCH 36 42 ENDBRANCH 33 35 ENDBRANCH 2 31 TORSDOF 6