REMARK Name = BDB024372 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.797 -1.335 0.543 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.542 -2.726 1.107 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -1.155 -2.914 2.443 0.00 0.00 +0.006 A ATOM 4 C LIG 1 -0.924 -4.197 2.946 0.00 0.00 +0.013 A ATOM 5 C LIG 1 -1.091 -5.324 2.129 0.00 0.00 +0.055 A ATOM 6 C LIG 1 -1.484 -5.139 0.796 0.00 0.00 +0.013 A ATOM 7 C LIG 1 -1.714 -3.856 0.293 0.00 0.00 +0.006 A BRANCH 5 8 ATOM 8 C LIG 1 -0.824 -6.708 2.666 0.00 0.00 +0.417 C ATOM 9 F LIG 1 0.465 -7.099 2.466 0.00 0.00 -0.166 F ATOM 10 F LIG 1 -1.045 -6.819 4.005 0.00 0.00 -0.166 F ATOM 11 F LIG 1 -1.598 -7.666 2.082 0.00 0.00 -0.166 F ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 14 ATOM 12 N LIG 1 0.497 -0.639 0.054 0.00 0.00 -0.269 N ATOM 13 H LIG 1 0.487 -1.438 -0.568 0.00 0.00 +0.156 HD ATOM 14 C LIG 1 -0.601 -0.384 0.845 0.00 0.00 +0.240 C ATOM 15 O LIG 1 -0.680 0.496 1.702 0.00 0.00 -0.273 OA BRANCH 12 19 ATOM 16 C LIG 1 4.234 1.168 -0.206 0.00 0.00 +0.003 A ATOM 17 C LIG 1 3.822 0.061 -0.940 0.00 0.00 +0.121 A ATOM 18 N LIG 1 2.597 -0.518 -0.844 0.00 0.00 -0.240 NA ATOM 19 C LIG 1 1.722 0.023 0.029 0.00 0.00 +0.125 A ATOM 20 C LIG 1 2.033 1.130 0.802 0.00 0.00 +0.044 A ATOM 21 C LIG 1 3.302 1.706 0.681 0.00 0.00 +0.013 A BRANCH 16 26 ATOM 22 C LIG 1 9.079 1.759 -1.128 0.00 0.00 +0.172 C ATOM 23 N LIG 1 7.702 1.988 -0.763 0.00 0.00 -0.274 N ATOM 24 N LIG 1 7.325 3.205 -0.337 0.00 0.00 -0.179 NA ATOM 25 C LIG 1 6.022 3.058 -0.084 0.00 0.00 +0.143 A ATOM 26 C LIG 1 5.555 1.750 -0.352 0.00 0.00 +0.021 A ATOM 27 C LIG 1 6.681 1.082 -0.791 0.00 0.00 +0.116 A ENDBRANCH 16 26 ENDBRANCH 12 19 ENDBRANCH 1 14 BRANCH 1 28 ATOM 28 N LIG 1 -3.052 -0.792 1.105 0.00 0.00 -0.302 NA ATOM 29 H LIG 1 -2.807 -0.261 1.946 0.00 0.00 +0.123 HD BRANCH 28 30 ATOM 30 C LIG 1 -3.802 0.064 0.182 0.00 0.00 +0.086 C BRANCH 30 31 ATOM 31 C LIG 1 -3.167 1.432 -0.111 0.00 0.00 +0.050 C BRANCH 31 32 ATOM 32 C LIG 1 -4.061 2.286 -0.980 0.00 0.00 -0.046 A ATOM 33 C LIG 1 -5.023 3.123 -0.399 0.00 0.00 +0.005 A ATOM 34 C LIG 1 -5.862 3.901 -1.202 0.00 0.00 +0.019 A ATOM 35 C LIG 1 -5.749 3.846 -2.594 0.00 0.00 +0.052 A ATOM 36 C LIG 1 -4.794 3.009 -3.179 0.00 0.00 +0.019 A ATOM 37 C LIG 1 -3.956 2.232 -2.377 0.00 0.00 +0.005 A BRANCH 35 38 ATOM 38 C LIG 1 -6.608 4.644 -3.418 0.00 0.00 +0.099 C ATOM 39 N LIG 1 -7.304 5.289 -4.087 0.00 0.00 -0.191 NA ENDBRANCH 35 38 ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 28 30 ENDBRANCH 1 28 TORSDOF 10