REMARK Name = BDB025976 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.135 -0.473 0.321 0.00 0.00 +0.022 A ATOM 2 C LIG 1 0.524 -1.736 0.268 0.00 0.00 +0.133 A ATOM 3 F LIG 1 1.274 -2.849 0.307 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -0.859 -1.892 0.181 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -1.692 -0.772 0.146 0.00 0.00 +0.054 A ATOM 6 C LIG 1 -1.101 0.512 0.205 0.00 0.00 +0.056 A ATOM 7 C LIG 1 0.289 0.652 0.286 0.00 0.00 +0.036 A ENDROOT BRANCH 5 8 ATOM 8 N LIG 1 -3.103 -0.861 0.033 0.00 0.00 -0.325 N ATOM 9 C LIG 1 -3.537 -1.151 -1.351 0.00 0.00 +0.123 C ATOM 10 C LIG 1 -3.618 -2.669 -1.701 0.00 0.00 +0.071 C ATOM 11 C LIG 1 -4.506 -2.830 -2.945 0.00 0.00 +0.026 C ATOM 12 N LIG 1 -3.967 -3.547 -0.565 0.00 0.00 -0.297 NA ATOM 13 C LIG 1 -4.510 -4.853 -0.891 0.00 0.00 +0.105 C ATOM 14 C LIG 1 -4.608 -2.870 0.570 0.00 0.00 +0.071 C ATOM 15 C LIG 1 -6.064 -2.453 0.319 0.00 0.00 +0.026 C ATOM 16 C LIG 1 -3.749 -1.679 1.091 0.00 0.00 +0.123 C ENDBRANCH 5 8 BRANCH 1 20 ATOM 17 C LIG 1 5.345 -0.023 0.577 0.00 0.00 +0.218 A ATOM 18 N LIG 1 4.557 0.772 1.318 0.00 0.00 -0.222 NA ATOM 19 C LIG 1 3.219 0.608 1.220 0.00 0.00 +0.124 A ATOM 20 C LIG 1 2.594 -0.322 0.412 0.00 0.00 +0.021 A ATOM 21 C LIG 1 3.494 -1.090 -0.300 0.00 0.00 +0.124 A ATOM 22 N LIG 1 4.839 -0.962 -0.238 0.00 0.00 -0.222 NA BRANCH 17 28 ATOM 23 C LIG 1 9.773 -0.691 -1.479 0.00 0.00 +0.039 C ATOM 24 C LIG 1 8.988 -0.297 -0.235 0.00 0.00 +0.133 C ATOM 25 O LIG 1 9.370 1.048 0.112 0.00 0.00 -0.374 OA ATOM 26 C LIG 1 8.693 1.456 1.312 0.00 0.00 +0.179 C ATOM 27 C LIG 1 7.168 1.436 1.137 0.00 0.00 +0.136 C ATOM 28 N LIG 1 6.731 0.107 0.683 0.00 0.00 -0.295 N ATOM 29 C LIG 1 7.468 -0.396 -0.486 0.00 0.00 +0.139 C ENDBRANCH 17 28 ENDBRANCH 1 20 BRANCH 6 30 ATOM 30 N LIG 1 -2.008 1.593 0.197 0.00 0.00 -0.280 N ATOM 31 H LIG 1 -2.974 1.269 0.172 0.00 0.00 +0.155 HD ATOM 32 C LIG 1 -1.732 2.935 0.242 0.00 0.00 +0.250 C ATOM 33 O LIG 1 -0.631 3.470 0.241 0.00 0.00 -0.270 OA BRANCH 32 34 ATOM 34 C LIG 1 -2.963 3.776 0.234 0.00 0.00 +0.065 A ATOM 35 C LIG 1 -3.949 3.797 1.311 0.00 0.00 +0.073 A ATOM 36 C LIG 1 -5.019 4.611 1.206 0.00 0.00 +0.083 A ATOM 37 C LIG 1 -5.201 5.476 0.013 0.00 0.00 +0.249 A ATOM 38 O LIG 1 -6.179 6.202 -0.098 0.00 0.00 -0.268 OA ATOM 39 N LIG 1 -4.211 5.400 -0.933 0.00 0.00 -0.328 N ATOM 40 H LIG 1 -4.322 6.006 -1.738 0.00 0.00 +0.168 HD ATOM 41 C LIG 1 -3.114 4.581 -0.831 0.00 0.00 +0.099 A BRANCH 35 42 ATOM 42 C LIG 1 -3.725 2.944 2.520 0.00 0.00 +0.418 C ATOM 43 F LIG 1 -2.481 3.082 3.035 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -4.594 3.234 3.523 0.00 0.00 -0.166 F ATOM 45 F LIG 1 -3.904 1.629 2.233 0.00 0.00 -0.166 F ENDBRANCH 35 42 ENDBRANCH 32 34 ENDBRANCH 6 30 TORSDOF 6