REMARK Name = BDB040097 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.460 0.812 0.529 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.305 1.583 0.706 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.113 2.616 1.321 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -0.778 0.907 -0.020 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -2.103 1.282 -0.140 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -2.954 0.454 -0.885 0.00 0.00 -0.032 A ATOM 7 C LIG 1 -2.436 -0.718 -1.488 0.00 0.00 +0.017 A ATOM 8 C LIG 1 -1.083 -1.084 -1.359 0.00 0.00 +0.061 A ATOM 9 C LIG 1 -0.266 -0.243 -0.609 0.00 0.00 -0.006 A ATOM 10 C LIG 1 1.188 -0.362 -0.288 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 5.141 0.434 1.307 0.00 0.00 -0.033 A ATOM 12 C LIG 1 3.831 0.214 0.814 0.00 0.00 +0.028 A ATOM 13 C LIG 1 2.754 1.093 1.049 0.00 0.00 +0.037 A ATOM 14 C LIG 1 3.011 2.239 1.802 0.00 0.00 +0.023 A ATOM 15 C LIG 1 4.289 2.499 2.296 0.00 0.00 +0.002 A ATOM 16 C LIG 1 5.333 1.610 2.051 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 6.334 -0.601 1.032 0.00 0.00 +0.062 C ATOM 18 C LIG 1 7.325 -0.907 2.191 0.00 0.00 +0.175 C ATOM 19 O LIG 1 7.272 -2.327 1.881 0.00 0.00 -0.378 OA ATOM 20 C LIG 1 5.997 -2.110 1.219 0.00 0.00 +0.175 C BRANCH 17 21 ATOM 21 C LIG 1 6.997 -0.370 -0.336 0.00 0.00 +0.161 C BRANCH 21 24 ATOM 22 C LIG 1 10.124 -0.601 -0.525 0.00 0.00 +0.067 C ATOM 23 C LIG 1 9.335 0.647 -0.447 0.00 0.00 +0.056 A ATOM 24 N LIG 1 7.967 0.714 -0.359 0.00 0.00 -0.248 N ATOM 25 N LIG 1 7.546 1.990 -0.343 0.00 0.00 -0.065 NA ATOM 26 N LIG 1 8.616 2.770 -0.377 0.00 0.00 -0.138 NA ATOM 27 C LIG 1 9.717 1.970 -0.447 0.00 0.00 +0.159 A ENDBRANCH 21 24 ENDBRANCH 17 21 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 28 ATOM 28 C LIG 1 -0.538 -2.337 -1.987 0.00 0.00 +0.418 C ATOM 29 F LIG 1 -1.434 -3.013 -2.753 0.00 0.00 -0.166 F ATOM 30 F LIG 1 -0.089 -3.224 -1.055 0.00 0.00 -0.166 F ATOM 31 F LIG 1 0.532 -2.083 -2.792 0.00 0.00 -0.166 F ENDBRANCH 8 28 BRANCH 6 32 ATOM 32 C LIG 1 -4.419 0.812 -1.051 0.00 0.00 +0.120 C BRANCH 32 33 ATOM 33 N LIG 1 -5.328 -0.243 -0.564 0.00 0.00 -0.293 NA ATOM 34 C LIG 1 -6.732 0.051 -0.985 0.00 0.00 +0.074 C ATOM 35 C LIG 1 -7.697 0.482 0.168 0.00 0.00 +0.103 C ATOM 36 N LIG 1 -7.030 1.433 1.070 0.00 0.00 -0.303 NA ATOM 37 C LIG 1 -7.952 1.995 2.051 0.00 0.00 +0.105 C ATOM 38 C LIG 1 -5.876 0.786 1.724 0.00 0.00 +0.099 C ATOM 39 C LIG 1 -5.255 -0.377 0.907 0.00 0.00 +0.100 C BRANCH 34 40 ATOM 40 C LIG 1 -7.327 -1.127 -1.813 0.00 0.00 +0.001 C ATOM 41 C LIG 1 -7.358 -2.466 -1.069 0.00 0.00 +0.009 C ATOM 42 C LIG 1 -6.583 -1.306 -3.143 0.00 0.00 +0.009 C ENDBRANCH 34 40 ENDBRANCH 32 33 ENDBRANCH 6 32 TORSDOF 8