REMARK Name = BDB024162 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.983 -1.768 -0.068 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 1.993 -2.363 -1.042 0.00 0.00 -0.022 A ATOM 3 C LIG 1 2.996 -3.217 -0.545 0.00 0.00 +0.005 A ATOM 4 C LIG 1 3.986 -3.727 -1.386 0.00 0.00 +0.000 A ATOM 5 C LIG 1 3.995 -3.389 -2.734 0.00 0.00 +0.000 A ATOM 6 C LIG 1 3.012 -2.547 -3.246 0.00 0.00 +0.000 A ATOM 7 C LIG 1 2.019 -2.038 -2.406 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -0.444 -1.458 -0.608 0.00 0.00 +0.240 C ATOM 9 N LIG 1 -1.153 -0.659 0.268 0.00 0.00 -0.269 N ATOM 10 H LIG 1 -0.645 -0.316 1.075 0.00 0.00 +0.156 HD ATOM 11 O LIG 1 -0.889 -1.922 -1.653 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 -2.446 -0.164 0.157 0.00 0.00 +0.125 A ATOM 13 N LIG 1 -2.805 0.630 1.187 0.00 0.00 -0.240 NA ATOM 14 C LIG 1 -4.056 1.156 1.165 0.00 0.00 +0.121 A ATOM 15 C LIG 1 -4.992 0.944 0.157 0.00 0.00 +0.000 A ATOM 16 C LIG 1 -4.582 0.124 -0.897 0.00 0.00 +0.013 A ATOM 17 C LIG 1 -3.302 -0.438 -0.898 0.00 0.00 +0.044 A BRANCH 15 18 ATOM 18 C LIG 1 -6.332 1.540 0.203 0.00 0.00 -0.016 A ATOM 19 C LIG 1 -6.778 2.395 -0.819 0.00 0.00 +0.008 A ATOM 20 C LIG 1 -8.056 2.961 -0.775 0.00 0.00 +0.001 A ATOM 21 C LIG 1 -8.911 2.673 0.285 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -8.489 1.824 1.306 0.00 0.00 +0.001 A ATOM 23 C LIG 1 -7.209 1.265 1.267 0.00 0.00 +0.008 A ENDBRANCH 15 18 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 24 ATOM 24 N LIG 1 1.548 -0.610 0.692 0.00 0.00 -0.302 NA ATOM 25 H LIG 1 2.435 -0.924 1.094 0.00 0.00 +0.123 HD BRANCH 24 26 ATOM 26 C LIG 1 1.808 0.582 -0.134 0.00 0.00 +0.086 C BRANCH 26 27 ATOM 27 C LIG 1 2.672 1.611 0.621 0.00 0.00 +0.050 C BRANCH 27 31 ATOM 28 C LIG 1 6.687 0.418 1.730 0.00 0.00 +0.052 A ATOM 29 C LIG 1 6.152 -0.008 0.512 0.00 0.00 +0.019 A ATOM 30 C LIG 1 4.860 0.374 0.140 0.00 0.00 +0.005 A ATOM 31 C LIG 1 4.075 1.167 0.992 0.00 0.00 -0.046 A ATOM 32 C LIG 1 4.629 1.604 2.205 0.00 0.00 +0.005 A ATOM 33 C LIG 1 5.924 1.230 2.574 0.00 0.00 +0.019 A BRANCH 28 35 ATOM 34 N LIG 1 9.082 -0.298 2.430 0.00 0.00 -0.191 NA ATOM 35 C LIG 1 8.011 0.024 2.114 0.00 0.00 +0.099 C ENDBRANCH 28 35 ENDBRANCH 27 31 ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 9