REMARK Name = BDB038662 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.290 0.625 0.819 0.00 0.00 -0.032 A ATOM 2 C LIG 1 4.013 1.380 -0.347 0.00 0.00 +0.017 A ATOM 3 C LIG 1 2.719 1.448 -0.895 0.00 0.00 +0.061 A ATOM 4 C LIG 1 1.716 0.728 -0.251 0.00 0.00 -0.006 A ATOM 5 C LIG 1 0.268 0.590 -0.594 0.00 0.00 +0.151 C ATOM 6 N LIG 1 -0.242 -0.289 0.439 0.00 0.00 -0.248 N ATOM 7 C LIG 1 0.755 -0.670 1.339 0.00 0.00 +0.253 C ATOM 8 O LIG 1 0.730 -1.373 2.331 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 1.994 -0.020 0.888 0.00 0.00 +0.043 A ATOM 10 C LIG 1 3.259 -0.093 1.440 0.00 0.00 +0.018 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -1.587 -0.712 0.504 0.00 0.00 +0.129 A ATOM 12 N LIG 1 -1.950 -1.560 1.482 0.00 0.00 -0.236 NA ATOM 13 C LIG 1 -3.224 -2.011 1.584 0.00 0.00 +0.047 A ATOM 14 C LIG 1 -4.185 -1.584 0.673 0.00 0.00 +0.032 A ATOM 15 C LIG 1 -3.854 -0.673 -0.334 0.00 0.00 -0.012 A ATOM 16 C LIG 1 -2.521 -0.251 -0.417 0.00 0.00 +0.052 A BRANCH 15 17 ATOM 17 C LIG 1 -4.875 -0.160 -1.272 0.00 0.00 -0.007 A ATOM 18 C LIG 1 -6.072 0.469 -0.847 0.00 0.00 +0.028 A ATOM 19 C LIG 1 -7.019 0.892 -1.799 0.00 0.00 +0.031 A ATOM 20 C LIG 1 -6.787 0.726 -3.166 0.00 0.00 +0.052 A ATOM 21 C LIG 1 -5.605 0.123 -3.594 0.00 0.00 +0.019 A ATOM 22 C LIG 1 -4.665 -0.318 -2.658 0.00 0.00 +0.010 A BRANCH 18 23 ATOM 23 C LIG 1 -6.412 0.668 0.562 0.00 0.00 +0.164 A ATOM 24 N LIG 1 -5.749 1.456 1.472 0.00 0.00 -0.317 N ATOM 25 C LIG 1 -4.614 2.313 1.263 0.00 0.00 +0.152 C ATOM 26 C LIG 1 -6.402 1.304 2.658 0.00 0.00 +0.225 A ATOM 27 N LIG 1 -7.427 0.504 2.494 0.00 0.00 -0.138 NA ATOM 28 N LIG 1 -7.444 0.117 1.176 0.00 0.00 -0.129 NA ENDBRANCH 18 23 BRANCH 20 29 ATOM 29 C LIG 1 -7.757 1.171 -4.124 0.00 0.00 +0.099 C ATOM 30 N LIG 1 -8.530 1.539 -4.907 0.00 0.00 -0.191 NA ENDBRANCH 20 29 ENDBRANCH 15 17 BRANCH 13 31 ATOM 31 C LIG 1 -3.520 -2.959 2.728 0.00 0.00 +0.038 C ATOM 32 C LIG 1 -4.539 -4.067 2.614 0.00 0.00 +0.010 C ATOM 33 C LIG 1 -4.818 -2.885 3.499 0.00 0.00 +0.010 C ENDBRANCH 13 31 ENDBRANCH 6 11 BRANCH 3 34 ATOM 34 C LIG 1 2.431 2.235 -2.144 0.00 0.00 +0.418 C ATOM 35 F LIG 1 2.210 1.430 -3.220 0.00 0.00 -0.166 F ATOM 36 F LIG 1 3.421 3.094 -2.505 0.00 0.00 -0.166 F ATOM 37 F LIG 1 1.304 2.995 -2.022 0.00 0.00 -0.166 F ENDBRANCH 3 34 BRANCH 1 38 ATOM 38 C LIG 1 5.700 0.553 1.362 0.00 0.00 +0.116 C BRANCH 38 39 ATOM 39 N LIG 1 6.379 -0.635 0.846 0.00 0.00 -0.311 NA ATOM 40 H LIG 1 6.393 -0.559 -0.173 0.00 0.00 +0.122 HD BRANCH 39 41 ATOM 41 C LIG 1 7.764 -0.725 1.323 0.00 0.00 +0.100 C BRANCH 41 42 ATOM 42 C LIG 1 8.772 0.172 0.577 0.00 0.00 +0.119 C BRANCH 42 45 ATOM 43 C LIG 1 8.395 -0.003 -3.206 0.00 0.00 +0.109 C ATOM 44 C LIG 1 8.130 0.474 -1.803 0.00 0.00 +0.210 C ATOM 45 N LIG 1 8.880 -0.153 -0.838 0.00 0.00 -0.314 N ATOM 46 H LIG 1 9.468 -0.934 -1.098 0.00 0.00 +0.149 HD ATOM 47 O LIG 1 7.302 1.346 -1.560 0.00 0.00 -0.276 OA ENDBRANCH 42 45 ENDBRANCH 41 42 ENDBRANCH 39 41 ENDBRANCH 38 39 ENDBRANCH 1 38 TORSDOF 11