REMARK Name = BDB029317 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.975 -0.027 0.869 0.00 0.00 -0.032 A ATOM 2 C LIG 1 3.454 -1.327 0.652 0.00 0.00 +0.017 A ATOM 3 C LIG 1 2.072 -1.562 0.520 0.00 0.00 +0.061 A ATOM 4 C LIG 1 1.228 -0.459 0.613 0.00 0.00 -0.006 A ATOM 5 C LIG 1 -0.261 -0.385 0.512 0.00 0.00 +0.150 C ATOM 6 N LIG 1 -0.548 1.033 0.690 0.00 0.00 -0.263 N ATOM 7 C LIG 1 0.628 1.767 0.880 0.00 0.00 +0.251 C ATOM 8 O LIG 1 0.814 2.957 1.058 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 1.743 0.813 0.830 0.00 0.00 +0.043 A ATOM 10 C LIG 1 3.097 1.060 0.964 0.00 0.00 +0.018 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -1.874 1.549 0.669 0.00 0.00 +0.037 A ATOM 12 C LIG 1 -2.974 0.695 0.464 0.00 0.00 +0.027 A ATOM 13 C LIG 1 -4.319 1.144 0.440 0.00 0.00 -0.039 A ATOM 14 C LIG 1 -4.514 2.525 0.611 0.00 0.00 +0.004 A ATOM 15 C LIG 1 -3.445 3.393 0.816 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -2.138 2.907 0.849 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 -5.563 0.108 0.187 0.00 0.00 +0.005 C ATOM 18 C LIG 1 -5.503 -1.226 1.040 0.00 0.00 +0.030 C ATOM 19 C LIG 1 -6.301 -0.486 2.140 0.00 0.00 +0.093 C ATOM 20 C LIG 1 -6.880 0.402 1.010 0.00 0.00 +0.030 C BRANCH 19 21 ATOM 21 C LIG 1 -7.267 -1.273 2.873 0.00 0.00 +0.066 C ATOM 22 N LIG 1 -8.049 -1.884 3.474 0.00 0.00 -0.196 NA ENDBRANCH 19 21 BRANCH 17 23 ATOM 23 C LIG 1 -5.720 -0.030 -1.343 0.00 0.00 +0.088 C BRANCH 23 24 ATOM 24 C LIG 1 -6.814 -0.924 -1.808 0.00 0.00 +0.134 A ATOM 25 N LIG 1 -8.015 -0.514 -2.331 0.00 0.00 -0.320 N ATOM 26 C LIG 1 -8.472 0.833 -2.538 0.00 0.00 +0.151 C ATOM 27 C LIG 1 -8.706 -1.647 -2.630 0.00 0.00 +0.224 A ATOM 28 N LIG 1 -7.978 -2.695 -2.327 0.00 0.00 -0.138 NA ATOM 29 N LIG 1 -6.784 -2.241 -1.822 0.00 0.00 -0.135 NA ENDBRANCH 23 24 ENDBRANCH 17 23 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 3 30 ATOM 30 C LIG 1 1.523 -2.941 0.273 0.00 0.00 +0.418 C ATOM 31 F LIG 1 2.462 -3.924 0.300 0.00 0.00 -0.166 F ATOM 32 F LIG 1 0.906 -3.036 -0.936 0.00 0.00 -0.166 F ATOM 33 F LIG 1 0.583 -3.290 1.195 0.00 0.00 -0.166 F ENDBRANCH 3 30 BRANCH 1 34 ATOM 34 C LIG 1 5.471 0.179 1.010 0.00 0.00 +0.119 C BRANCH 34 36 ATOM 35 C LIG 1 5.963 0.565 -1.327 0.00 0.00 +0.105 C ATOM 36 N LIG 1 6.231 -0.291 -0.166 0.00 0.00 -0.298 NA BRANCH 36 37 ATOM 37 C LIG 1 7.660 -0.431 0.156 0.00 0.00 +0.062 C ATOM 38 C LIG 1 8.497 0.842 0.294 0.00 0.00 +0.094 C ATOM 39 C LIG 1 9.896 0.265 0.316 0.00 0.00 +0.250 C ATOM 40 F LIG 1 10.834 1.204 0.098 0.00 0.00 -0.206 F ATOM 41 F LIG 1 10.145 -0.289 1.527 0.00 0.00 -0.206 F ATOM 42 C LIG 1 9.905 -0.808 -0.756 0.00 0.00 +0.077 C ATOM 43 C LIG 1 8.454 -1.294 -0.847 0.00 0.00 +0.025 C ENDBRANCH 36 37 ENDBRANCH 34 36 ENDBRANCH 1 34 TORSDOF 9