REMARK Name = BDB024294 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.001 1.466 -1.005 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.037 0.435 -2.128 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -0.265 0.807 -3.464 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -0.309 -0.155 -4.475 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -0.130 -1.501 -4.165 0.00 0.00 +0.000 A ATOM 6 C LIG 1 0.091 -1.887 -2.846 0.00 0.00 +0.000 A ATOM 7 C LIG 1 0.136 -0.927 -1.834 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 1.024 2.592 -1.330 0.00 0.00 +0.240 C ATOM 9 N LIG 1 2.333 2.534 -0.956 0.00 0.00 -0.269 N ATOM 10 H LIG 1 2.842 3.352 -1.258 0.00 0.00 +0.156 HD ATOM 11 O LIG 1 0.686 3.599 -1.976 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 3.047 1.547 -0.279 0.00 0.00 +0.125 A ATOM 13 N LIG 1 2.453 0.422 0.143 0.00 0.00 -0.240 NA ATOM 14 C LIG 1 3.217 -0.492 0.797 0.00 0.00 +0.121 A ATOM 15 C LIG 1 4.573 -0.346 1.065 0.00 0.00 +0.003 A ATOM 16 C LIG 1 5.168 0.830 0.612 0.00 0.00 +0.013 A ATOM 17 C LIG 1 4.402 1.784 -0.063 0.00 0.00 +0.044 A BRANCH 15 18 ATOM 18 C LIG 1 5.340 -1.355 1.770 0.00 0.00 +0.021 A ATOM 19 C LIG 1 4.825 -2.279 2.657 0.00 0.00 +0.116 A ATOM 20 N LIG 1 5.884 -3.020 3.101 0.00 0.00 -0.274 N ATOM 21 C LIG 1 5.849 -4.105 4.051 0.00 0.00 +0.172 C ATOM 22 N LIG 1 7.058 -2.646 2.566 0.00 0.00 -0.179 NA ATOM 23 C LIG 1 6.728 -1.635 1.759 0.00 0.00 +0.143 A ENDBRANCH 15 18 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 24 ATOM 24 N LIG 1 -1.326 2.116 -0.785 0.00 0.00 -0.301 NA ATOM 25 H LIG 1 -1.568 2.630 -1.633 0.00 0.00 +0.123 HD BRANCH 24 26 ATOM 26 C LIG 1 -2.382 1.176 -0.412 0.00 0.00 +0.089 C BRANCH 26 28 ATOM 27 C LIG 1 -3.535 2.842 1.153 0.00 0.00 +0.014 C ATOM 28 C LIG 1 -3.697 1.910 -0.054 0.00 0.00 +0.030 C BRANCH 28 29 ATOM 29 C LIG 1 -4.828 0.914 0.174 0.00 0.00 -0.041 A ATOM 30 C LIG 1 -4.802 0.003 1.241 0.00 0.00 +0.043 A ATOM 31 C LIG 1 -5.845 -0.904 1.420 0.00 0.00 +0.141 A ATOM 32 F LIG 1 -5.782 -1.760 2.451 0.00 0.00 -0.204 F ATOM 33 C LIG 1 -6.930 -0.928 0.548 0.00 0.00 +0.087 A ATOM 34 C LIG 1 -6.967 -0.026 -0.519 0.00 0.00 +0.022 A ATOM 35 C LIG 1 -5.923 0.887 -0.704 0.00 0.00 +0.005 A BRANCH 33 36 ATOM 36 C LIG 1 -7.991 -1.865 0.742 0.00 0.00 +0.102 C ATOM 37 N LIG 1 -8.868 -2.615 0.871 0.00 0.00 -0.191 NA ENDBRANCH 33 36 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 9