REMARK Name = BDB024155 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.186 2.193 -0.834 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.515 3.477 -0.355 0.00 0.00 -0.022 A ATOM 3 C LIG 1 0.183 3.487 0.863 0.00 0.00 +0.005 A ATOM 4 C LIG 1 0.800 4.652 1.323 0.00 0.00 +0.000 A ATOM 5 C LIG 1 0.720 5.826 0.577 0.00 0.00 +0.000 A ATOM 6 C LIG 1 0.021 5.837 -0.627 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -0.596 4.672 -1.089 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 0.314 1.163 -2.644 0.00 0.00 -0.269 N ATOM 9 H LIG 1 0.425 1.091 -3.646 0.00 0.00 +0.156 HD ATOM 10 C LIG 1 -0.797 1.875 -2.307 0.00 0.00 +0.240 C ATOM 11 O LIG 1 -1.500 2.278 -3.248 0.00 0.00 -0.273 OA BRANCH 8 15 ATOM 12 C LIG 1 3.270 -0.702 -0.359 0.00 0.00 +0.048 A ATOM 13 C LIG 1 2.174 -0.046 0.196 0.00 0.00 +0.136 A ATOM 14 N LIG 1 1.188 0.566 -0.511 0.00 0.00 -0.238 NA ATOM 15 C LIG 1 1.284 0.559 -1.847 0.00 0.00 +0.125 A ATOM 16 C LIG 1 2.345 -0.061 -2.500 0.00 0.00 +0.045 A ATOM 17 C LIG 1 3.341 -0.690 -1.749 0.00 0.00 +0.028 A BRANCH 12 20 ATOM 18 C LIG 1 5.437 -2.577 1.547 0.00 0.00 +0.152 C ATOM 19 C LIG 1 4.118 -1.812 1.767 0.00 0.00 +0.138 C ATOM 20 N LIG 1 4.261 -1.312 0.427 0.00 0.00 -0.324 N ATOM 21 C LIG 1 5.129 -2.391 0.047 0.00 0.00 +0.138 C BRANCH 18 23 ATOM 22 C LIG 1 6.667 -4.657 1.766 0.00 0.00 +0.194 C ATOM 23 O LIG 1 5.480 -3.933 2.053 0.00 0.00 -0.377 OA ENDBRANCH 18 23 ENDBRANCH 12 20 ENDBRANCH 8 15 ENDBRANCH 1 10 BRANCH 1 24 ATOM 24 N LIG 1 -2.670 2.354 -0.735 0.00 0.00 -0.301 NA ATOM 25 H LIG 1 -2.941 2.910 -1.552 0.00 0.00 +0.123 HD BRANCH 24 26 ATOM 26 C LIG 1 -3.384 1.071 -0.796 0.00 0.00 +0.089 C BRANCH 26 27 ATOM 27 C LIG 1 -3.355 0.262 0.525 0.00 0.00 +0.030 C ATOM 28 C LIG 1 -3.965 1.042 1.696 0.00 0.00 +0.014 C BRANCH 27 29 ATOM 29 C LIG 1 -4.037 -1.089 0.334 0.00 0.00 -0.043 A ATOM 30 C LIG 1 -3.263 -2.260 0.326 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -3.862 -3.509 0.141 0.00 0.00 +0.019 A ATOM 32 C LIG 1 -5.244 -3.604 -0.042 0.00 0.00 +0.052 A ATOM 33 C LIG 1 -6.023 -2.445 -0.040 0.00 0.00 +0.019 A ATOM 34 C LIG 1 -5.423 -1.196 0.144 0.00 0.00 +0.005 A BRANCH 32 35 ATOM 35 C LIG 1 -5.858 -4.886 -0.232 0.00 0.00 +0.099 C ATOM 36 N LIG 1 -6.354 -5.924 -0.387 0.00 0.00 -0.191 NA ENDBRANCH 32 35 ENDBRANCH 27 29 ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 10