REMARK Name = BDB003825 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.802 -0.394 -0.433 0.00 0.00 +0.410 C ATOM 2 N LIG 1 1.421 -0.499 -0.352 0.00 0.00 -0.198 N ATOM 3 C LIG 1 0.696 -0.839 -1.493 0.00 0.00 +0.311 C ATOM 4 O LIG 1 1.129 -1.453 -2.462 0.00 0.00 -0.264 OA ATOM 5 C LIG 1 -0.811 -0.465 -1.506 0.00 0.00 +0.303 C ATOM 6 O LIG 1 -1.410 -0.408 -2.574 0.00 0.00 -0.265 OA ATOM 7 N LIG 1 -1.429 -0.208 -0.276 0.00 0.00 -0.281 N ATOM 8 C LIG 1 -0.685 -0.518 0.930 0.00 0.00 +0.128 C ATOM 9 C LIG 1 0.727 0.030 0.814 0.00 0.00 +0.139 C ATOM 10 O LIG 1 3.500 -0.783 -1.357 0.00 0.00 -0.226 OA ENDROOT BRANCH 7 11 ATOM 11 C LIG 1 -2.907 -0.151 -0.207 0.00 0.00 +0.163 C ATOM 12 C LIG 1 -3.484 -1.565 -0.427 0.00 0.00 +0.240 C ATOM 13 O LIG 1 -2.853 -2.578 -0.106 0.00 0.00 -0.273 OA ATOM 14 N LIG 1 -4.782 -1.719 -0.837 0.00 0.00 -0.255 N ATOM 15 H LIG 1 -4.979 -2.698 -0.648 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 -5.772 -0.945 -0.297 0.00 0.00 +0.219 C ATOM 17 O LIG 1 -6.493 -1.357 0.604 0.00 0.00 -0.275 OA ATOM 18 C LIG 1 -5.964 0.404 -0.948 0.00 0.00 +0.096 C ATOM 19 C LIG 1 -4.869 1.405 -0.631 0.00 0.00 +0.011 C ATOM 20 C LIG 1 -3.490 0.949 -1.104 0.00 0.00 +0.032 C ENDBRANCH 7 11 BRANCH 1 21 ATOM 21 O LIG 1 3.323 0.203 0.679 0.00 0.00 -0.444 OA BRANCH 21 23 ATOM 22 C LIG 1 5.295 1.354 -0.256 0.00 0.00 +0.055 C ATOM 23 C LIG 1 4.754 0.412 0.825 0.00 0.00 +0.107 C ATOM 24 C LIG 1 5.512 -0.919 0.863 0.00 0.00 +0.055 C ATOM 25 C LIG 1 4.904 1.099 2.191 0.00 0.00 +0.055 C ENDBRANCH 21 23 ENDBRANCH 1 21 TORSDOF 3