REMARK Name = BDB024237 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.649 -0.304 -0.166 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 2.929 -1.800 -0.240 0.00 0.00 -0.022 A ATOM 3 C LIG 1 3.700 -2.311 -1.298 0.00 0.00 +0.005 A ATOM 4 C LIG 1 3.971 -3.678 -1.384 0.00 0.00 +0.000 A ATOM 5 C LIG 1 3.486 -4.549 -0.411 0.00 0.00 +0.000 A ATOM 6 C LIG 1 2.739 -4.054 0.655 0.00 0.00 +0.000 A ATOM 7 C LIG 1 2.467 -2.687 0.746 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 0.269 -0.361 -0.719 0.00 0.00 -0.269 N ATOM 9 H LIG 1 0.619 -0.873 -1.516 0.00 0.00 +0.156 HD ATOM 10 C LIG 1 1.179 -0.014 0.268 0.00 0.00 +0.240 C ATOM 11 O LIG 1 0.924 0.457 1.375 0.00 0.00 -0.273 OA BRANCH 8 15 ATOM 12 C LIG 1 -3.885 0.194 -0.625 0.00 0.00 +0.048 A ATOM 13 C LIG 1 -3.015 0.678 0.353 0.00 0.00 +0.136 A ATOM 14 N LIG 1 -1.667 0.514 0.359 0.00 0.00 -0.238 NA ATOM 15 C LIG 1 -1.115 -0.165 -0.655 0.00 0.00 +0.125 A ATOM 16 C LIG 1 -1.881 -0.679 -1.692 0.00 0.00 +0.045 A ATOM 17 C LIG 1 -3.266 -0.496 -1.672 0.00 0.00 +0.028 A BRANCH 12 21 ATOM 18 C LIG 1 -8.120 0.438 -0.051 0.00 0.00 +0.121 C ATOM 19 C LIG 1 -7.485 -0.671 -0.894 0.00 0.00 +0.050 C ATOM 20 C LIG 1 -6.022 -0.897 -0.515 0.00 0.00 +0.107 C ATOM 21 N LIG 1 -5.279 0.374 -0.635 0.00 0.00 -0.329 N ATOM 22 C LIG 1 -5.816 1.434 0.237 0.00 0.00 +0.107 C ATOM 23 C LIG 1 -7.273 1.709 -0.131 0.00 0.00 +0.050 C BRANCH 18 25 ATOM 24 C LIG 1 -9.339 -0.760 1.616 0.00 0.00 +0.194 C ATOM 25 O LIG 1 -8.213 0.058 1.328 0.00 0.00 -0.380 OA ENDBRANCH 18 25 ENDBRANCH 12 21 ENDBRANCH 8 15 ENDBRANCH 1 10 BRANCH 1 26 ATOM 26 N LIG 1 3.618 0.334 0.751 0.00 0.00 -0.302 NA ATOM 27 H LIG 1 3.269 0.174 1.701 0.00 0.00 +0.123 HD BRANCH 26 28 ATOM 28 C LIG 1 3.714 1.784 0.533 0.00 0.00 +0.086 C BRANCH 28 29 ATOM 29 C LIG 1 4.757 2.428 1.462 0.00 0.00 +0.050 C BRANCH 29 30 ATOM 30 C LIG 1 6.186 2.178 1.033 0.00 0.00 -0.046 A ATOM 31 C LIG 1 6.896 3.156 0.323 0.00 0.00 +0.005 A ATOM 32 C LIG 1 8.212 2.921 -0.084 0.00 0.00 +0.019 A ATOM 33 C LIG 1 8.831 1.702 0.210 0.00 0.00 +0.052 A ATOM 34 C LIG 1 8.128 0.721 0.915 0.00 0.00 +0.019 A ATOM 35 C LIG 1 6.813 0.959 1.323 0.00 0.00 +0.005 A BRANCH 33 36 ATOM 36 C LIG 1 10.178 1.459 -0.212 0.00 0.00 +0.099 C ATOM 37 N LIG 1 11.270 1.265 -0.558 0.00 0.00 -0.191 NA ENDBRANCH 33 36 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 1 26 TORSDOF 10