REMARK Name = BDB038540 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.089 1.308 -0.917 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.337 0.174 -1.240 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.650 -0.873 -1.774 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -1.046 0.448 -0.832 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -2.148 -0.384 -0.913 0.00 0.00 +0.019 A ATOM 6 C LIG 1 -3.373 0.101 -0.437 0.00 0.00 -0.021 A ATOM 7 C LIG 1 -3.445 1.418 0.082 0.00 0.00 +0.018 A ATOM 8 C LIG 1 -2.312 2.252 0.157 0.00 0.00 +0.061 A ATOM 9 C LIG 1 -1.109 1.734 -0.311 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.247 2.360 -0.364 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 4.717 0.522 -1.554 0.00 0.00 -0.015 A ATOM 12 C LIG 1 3.321 0.383 -1.419 0.00 0.00 +0.032 A ATOM 13 C LIG 1 2.495 1.462 -1.070 0.00 0.00 +0.038 A ATOM 14 C LIG 1 3.103 2.707 -0.857 0.00 0.00 +0.023 A ATOM 15 C LIG 1 4.481 2.874 -1.011 0.00 0.00 +0.002 A ATOM 16 C LIG 1 5.281 1.791 -1.362 0.00 0.00 +0.008 A BRANCH 11 18 ATOM 17 C LIG 1 5.662 -1.800 -1.101 0.00 0.00 +0.027 A ATOM 18 C LIG 1 5.568 -0.634 -1.899 0.00 0.00 -0.007 A ATOM 19 C LIG 1 6.308 -0.589 -3.099 0.00 0.00 +0.009 A ATOM 20 C LIG 1 7.106 -1.660 -3.506 0.00 0.00 +0.001 A ATOM 21 C LIG 1 7.176 -2.807 -2.726 0.00 0.00 +0.001 A ATOM 22 C LIG 1 6.455 -2.878 -1.536 0.00 0.00 +0.012 A BRANCH 17 25 ATOM 23 C LIG 1 6.081 -0.160 1.548 0.00 0.00 +0.152 C ATOM 24 N LIG 1 5.138 -1.219 1.311 0.00 0.00 -0.317 N ATOM 25 C LIG 1 4.958 -1.967 0.172 0.00 0.00 +0.164 A ATOM 26 N LIG 1 4.085 -2.921 0.449 0.00 0.00 -0.129 NA ATOM 27 N LIG 1 3.653 -2.762 1.744 0.00 0.00 -0.138 NA ATOM 28 C LIG 1 4.291 -1.733 2.246 0.00 0.00 +0.225 A ENDBRANCH 17 25 ENDBRANCH 11 18 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 -2.390 3.645 0.721 0.00 0.00 +0.418 C ATOM 30 F LIG 1 -1.558 3.818 1.784 0.00 0.00 -0.166 F ATOM 31 F LIG 1 -2.019 4.587 -0.191 0.00 0.00 -0.166 F ATOM 32 F LIG 1 -3.631 4.003 1.149 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 -4.610 -0.759 -0.511 0.00 0.00 +0.195 C BRANCH 33 34 ATOM 34 O LIG 1 -5.277 -0.713 0.749 0.00 0.00 -0.369 OA BRANCH 34 35 ATOM 35 C LIG 1 -6.487 -1.472 0.764 0.00 0.00 +0.147 C ATOM 36 C LIG 1 -6.903 -1.714 2.221 0.00 0.00 +0.143 C ATOM 37 C LIG 1 -7.601 -0.423 2.651 0.00 0.00 +0.034 C ATOM 38 C LIG 1 -8.016 0.289 1.362 0.00 0.00 +0.005 C ATOM 39 C LIG 1 -7.658 -0.656 0.220 0.00 0.00 +0.034 C BRANCH 36 40 ATOM 40 O LIG 1 -7.837 -2.790 2.303 0.00 0.00 -0.389 OA ATOM 41 H LIG 1 -7.335 -3.614 2.178 0.00 0.00 +0.210 HD ENDBRANCH 36 40 ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 8