REMARK Name = BDB024279 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.426 -0.233 -0.843 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 1.806 -1.520 -0.121 0.00 0.00 -0.022 A ATOM 3 C LIG 1 1.256 -1.873 1.123 0.00 0.00 +0.005 A ATOM 4 C LIG 1 1.629 -3.060 1.756 0.00 0.00 +0.000 A ATOM 5 C LIG 1 2.565 -3.904 1.163 0.00 0.00 +0.000 A ATOM 6 C LIG 1 3.136 -3.558 -0.059 0.00 0.00 +0.000 A ATOM 7 C LIG 1 2.764 -2.372 -0.695 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 -0.961 -0.806 -0.911 0.00 0.00 -0.269 N ATOM 9 H LIG 1 -0.585 -1.722 -1.113 0.00 0.00 +0.156 HD ATOM 10 C LIG 1 -0.057 0.219 -0.670 0.00 0.00 +0.240 C ATOM 11 O LIG 1 -0.334 1.390 -0.413 0.00 0.00 -0.273 OA BRANCH 8 15 ATOM 12 C LIG 1 -5.126 -0.588 -0.734 0.00 0.00 +0.003 A ATOM 13 C LIG 1 -4.299 0.507 -0.510 0.00 0.00 +0.121 A ATOM 14 N LIG 1 -2.943 0.471 -0.559 0.00 0.00 -0.240 NA ATOM 15 C LIG 1 -2.354 -0.699 -0.847 0.00 0.00 +0.125 A ATOM 16 C LIG 1 -3.095 -1.851 -1.089 0.00 0.00 +0.044 A ATOM 17 C LIG 1 -4.490 -1.793 -1.033 0.00 0.00 +0.013 A BRANCH 12 22 ATOM 18 C LIG 1 -9.740 0.900 0.353 0.00 0.00 +0.172 C ATOM 19 N LIG 1 -8.607 0.177 -0.172 0.00 0.00 -0.274 N ATOM 20 N LIG 1 -8.812 -0.908 -0.939 0.00 0.00 -0.179 NA ATOM 21 C LIG 1 -7.577 -1.315 -1.240 0.00 0.00 +0.143 A ATOM 22 C LIG 1 -6.573 -0.496 -0.670 0.00 0.00 +0.021 A ATOM 23 C LIG 1 -7.286 0.464 0.021 0.00 0.00 +0.116 A ENDBRANCH 12 22 ENDBRANCH 8 15 ENDBRANCH 1 10 BRANCH 1 24 ATOM 24 N LIG 1 2.368 0.891 -0.604 0.00 0.00 -0.302 NA ATOM 25 H LIG 1 1.932 1.715 -1.031 0.00 0.00 +0.123 HD BRANCH 24 26 ATOM 26 C LIG 1 2.583 1.200 0.818 0.00 0.00 +0.086 C BRANCH 26 27 ATOM 27 C LIG 1 3.398 2.493 1.000 0.00 0.00 +0.050 C BRANCH 27 28 ATOM 28 C LIG 1 4.832 2.377 0.536 0.00 0.00 -0.043 A ATOM 29 C LIG 1 5.790 1.746 1.341 0.00 0.00 +0.043 A ATOM 30 C LIG 1 7.106 1.625 0.898 0.00 0.00 +0.141 A ATOM 31 F LIG 1 7.997 1.016 1.694 0.00 0.00 -0.204 F ATOM 32 C LIG 1 7.492 2.124 -0.343 0.00 0.00 +0.087 A ATOM 33 C LIG 1 6.542 2.753 -1.153 0.00 0.00 +0.022 A ATOM 34 C LIG 1 5.219 2.877 -0.716 0.00 0.00 +0.005 A BRANCH 32 35 ATOM 35 C LIG 1 8.844 1.990 -0.785 0.00 0.00 +0.102 C ATOM 36 N LIG 1 9.934 1.897 -1.174 0.00 0.00 -0.191 NA ENDBRANCH 32 35 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 9