REMARK Name = BDB040024 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.717 -0.040 -1.176 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.194 -0.129 0.118 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.634 -0.647 1.128 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -1.098 0.566 0.107 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -1.989 0.746 1.149 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -3.171 1.449 0.887 0.00 0.00 -0.032 A ATOM 7 C LIG 1 -3.415 1.944 -0.418 0.00 0.00 +0.017 A ATOM 8 C LIG 1 -2.495 1.755 -1.467 0.00 0.00 +0.061 A ATOM 9 C LIG 1 -1.329 1.054 -1.173 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.180 0.696 -2.058 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 4.028 -1.874 -1.203 0.00 0.00 -0.032 A ATOM 12 C LIG 1 2.794 -1.319 -0.786 0.00 0.00 +0.028 A ATOM 13 C LIG 1 1.951 -0.581 -1.632 0.00 0.00 +0.037 A ATOM 14 C LIG 1 2.369 -0.391 -2.955 0.00 0.00 +0.023 A ATOM 15 C LIG 1 3.583 -0.910 -3.404 0.00 0.00 +0.002 A ATOM 16 C LIG 1 4.397 -1.638 -2.539 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 4.962 -2.709 -0.195 0.00 0.00 +0.080 C ATOM 18 C LIG 1 4.264 -3.754 0.713 0.00 0.00 +0.177 C ATOM 19 O LIG 1 5.287 -4.739 0.418 0.00 0.00 -0.378 OA ATOM 20 C LIG 1 5.696 -3.963 -0.738 0.00 0.00 +0.177 C BRANCH 17 21 ATOM 21 C LIG 1 5.879 -1.803 0.637 0.00 0.00 +0.248 C ATOM 22 F LIG 1 5.089 -1.050 1.463 0.00 0.00 -0.236 F BRANCH 21 25 ATOM 23 C LIG 1 5.732 1.311 0.309 0.00 0.00 +0.151 C ATOM 24 N LIG 1 6.658 0.422 -0.339 0.00 0.00 -0.318 N ATOM 25 C LIG 1 6.758 -0.940 -0.207 0.00 0.00 +0.168 A ATOM 26 N LIG 1 7.747 -1.361 -0.973 0.00 0.00 -0.132 NA ATOM 27 N LIG 1 8.290 -0.274 -1.612 0.00 0.00 -0.138 NA ATOM 28 C LIG 1 7.627 0.788 -1.220 0.00 0.00 +0.224 A ENDBRANCH 21 25 ENDBRANCH 17 21 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 -2.761 2.270 -2.855 0.00 0.00 +0.418 C ATOM 30 F LIG 1 -3.886 3.024 -2.961 0.00 0.00 -0.166 F ATOM 31 F LIG 1 -1.741 3.048 -3.315 0.00 0.00 -0.166 F ATOM 32 F LIG 1 -2.890 1.262 -3.761 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 -4.188 1.675 1.989 0.00 0.00 +0.120 C BRANCH 33 34 ATOM 34 N LIG 1 -5.468 1.011 1.718 0.00 0.00 -0.293 NA ATOM 35 C LIG 1 -6.507 1.376 2.701 0.00 0.00 +0.082 C ATOM 36 C LIG 1 -7.460 0.170 2.740 0.00 0.00 +0.022 C ATOM 37 C LIG 1 -6.815 -0.877 1.845 0.00 0.00 +0.017 C ATOM 38 C LIG 1 -5.363 -0.452 1.779 0.00 0.00 +0.085 C BRANCH 35 39 ATOM 39 C LIG 1 -7.248 2.672 2.335 0.00 0.00 +0.174 C BRANCH 39 40 ATOM 40 O LIG 1 -8.179 3.028 3.356 0.00 0.00 -0.393 OA ATOM 41 H LIG 1 -7.666 3.268 4.146 0.00 0.00 +0.209 HD ENDBRANCH 39 40 ENDBRANCH 35 39 ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 9