REMARK Name = BDB024317 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.565 -0.078 -0.375 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.648 1.384 -0.783 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -0.979 2.367 0.164 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.024 3.714 -0.197 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -0.739 4.096 -1.506 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -0.409 3.133 -2.457 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -0.362 1.785 -2.099 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 0.903 -0.626 -0.381 0.00 0.00 +0.240 C ATOM 9 N LIG 1 1.848 0.251 0.101 0.00 0.00 -0.269 N ATOM 10 H LIG 1 1.576 1.201 0.324 0.00 0.00 +0.156 HD ATOM 11 O LIG 1 1.130 -1.787 -0.732 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 3.217 0.053 0.266 0.00 0.00 +0.125 A ATOM 13 N LIG 1 3.859 1.145 0.733 0.00 0.00 -0.239 NA ATOM 14 C LIG 1 5.200 1.051 0.927 0.00 0.00 +0.123 A ATOM 15 C LIG 1 5.956 -0.088 0.681 0.00 0.00 +0.022 A ATOM 16 C LIG 1 5.260 -1.200 0.203 0.00 0.00 +0.015 A ATOM 17 C LIG 1 3.880 -1.133 -0.008 0.00 0.00 +0.044 A BRANCH 15 18 ATOM 18 C LIG 1 7.395 -0.129 0.909 0.00 0.00 +0.114 A ATOM 19 N LIG 1 8.130 -1.237 0.700 0.00 0.00 -0.152 NA ATOM 20 N LIG 1 9.371 -0.828 1.021 0.00 0.00 -0.186 N ATOM 21 C LIG 1 10.491 -1.733 0.963 0.00 0.00 +0.197 C ATOM 22 N LIG 1 9.524 0.441 1.439 0.00 0.00 -0.160 NA ATOM 23 C LIG 1 8.269 0.891 1.362 0.00 0.00 +0.164 A ENDBRANCH 15 18 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 24 ATOM 24 N LIG 1 -1.388 -0.939 -1.267 0.00 0.00 -0.301 NA ATOM 25 H LIG 1 -0.858 -1.812 -1.384 0.00 0.00 +0.123 HD BRANCH 24 26 ATOM 26 C LIG 1 -2.697 -1.282 -0.695 0.00 0.00 +0.089 C BRANCH 26 28 ATOM 27 C LIG 1 -4.079 0.282 -2.174 0.00 0.00 +0.014 C ATOM 28 C LIG 1 -3.756 -0.155 -0.740 0.00 0.00 +0.030 C BRANCH 28 29 ATOM 29 C LIG 1 -5.022 -0.576 -0.001 0.00 0.00 -0.043 A ATOM 30 C LIG 1 -5.813 -1.646 -0.443 0.00 0.00 +0.004 A ATOM 31 C LIG 1 -6.966 -2.017 0.253 0.00 0.00 +0.012 A ATOM 32 C LIG 1 -7.353 -1.330 1.412 0.00 0.00 +0.055 A ATOM 33 C LIG 1 -6.569 -0.254 1.851 0.00 0.00 +0.012 A ATOM 34 C LIG 1 -5.416 0.117 1.154 0.00 0.00 +0.004 A BRANCH 32 35 ATOM 35 C LIG 1 -8.610 -1.715 2.151 0.00 0.00 +0.417 C ATOM 36 F LIG 1 -9.705 -1.044 1.697 0.00 0.00 -0.166 F ATOM 37 F LIG 1 -8.912 -3.040 2.042 0.00 0.00 -0.166 F ATOM 38 F LIG 1 -8.544 -1.460 3.488 0.00 0.00 -0.166 F ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 9