REMARK Name = BDB026756 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.790 -0.915 0.471 0.00 0.00 -0.276 N ATOM 2 C LIG 1 -0.746 0.421 1.123 0.00 0.00 +0.140 C ATOM 3 C LIG 1 0.515 1.253 0.704 0.00 0.00 +0.174 C ATOM 4 O LIG 1 1.684 0.500 1.078 0.00 0.00 -0.357 OA ATOM 5 C LIG 1 1.739 -0.774 0.434 0.00 0.00 +0.209 C ATOM 6 C LIG 1 0.438 -1.618 0.536 0.00 0.00 +0.246 C ATOM 7 O LIG 1 0.450 -2.849 0.634 0.00 0.00 -0.273 OA ENDROOT BRANCH 2 8 ATOM 8 C LIG 1 -2.021 1.254 1.182 0.00 0.00 -0.024 A ATOM 9 C LIG 1 -2.725 1.330 2.401 0.00 0.00 +0.007 A ATOM 10 C LIG 1 -3.888 2.096 2.524 0.00 0.00 +0.020 A ATOM 11 C LIG 1 -4.364 2.808 1.430 0.00 0.00 +0.041 A ATOM 12 CL LIG 1 -5.792 3.754 1.574 0.00 0.00 -0.084 Cl ATOM 13 C LIG 1 -3.687 2.754 0.216 0.00 0.00 +0.020 A ATOM 14 C LIG 1 -2.525 1.982 0.094 0.00 0.00 +0.007 A ENDBRANCH 2 8 BRANCH 3 15 ATOM 15 C LIG 1 0.707 1.781 -0.714 0.00 0.00 -0.017 A ATOM 16 C LIG 1 0.206 1.145 -1.862 0.00 0.00 +0.007 A ATOM 17 C LIG 1 0.451 1.667 -3.137 0.00 0.00 +0.020 A ATOM 18 C LIG 1 1.211 2.823 -3.282 0.00 0.00 +0.041 A ATOM 19 CL LIG 1 1.510 3.460 -4.851 0.00 0.00 -0.084 Cl ATOM 20 C LIG 1 1.734 3.461 -2.163 0.00 0.00 +0.020 A ATOM 21 C LIG 1 1.488 2.939 -0.890 0.00 0.00 +0.007 A ENDBRANCH 3 15 BRANCH 1 22 ATOM 22 C LIG 1 -2.004 -1.785 0.525 0.00 0.00 +0.185 C BRANCH 22 23 ATOM 23 C LIG 1 -2.327 -2.217 1.971 0.00 0.00 +0.325 C ATOM 24 O LIG 1 -3.290 -1.839 2.621 0.00 0.00 -0.249 OA BRANCH 23 25 ATOM 25 O LIG 1 -1.409 -3.071 2.491 0.00 0.00 -0.479 OA ATOM 26 H LIG 1 -0.686 -3.298 1.855 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 22 23 BRANCH 22 27 ATOM 27 C LIG 1 -3.231 -1.239 -0.226 0.00 0.00 +0.034 C BRANCH 27 29 ATOM 28 C LIG 1 -3.720 -3.167 -1.836 0.00 0.00 +0.004 C ATOM 29 C LIG 1 -4.223 -2.324 -0.673 0.00 0.00 -0.001 C ENDBRANCH 27 29 ENDBRANCH 22 27 ENDBRANCH 1 22 BRANCH 5 30 ATOM 30 C LIG 1 2.930 -1.556 1.017 0.00 0.00 +0.076 C BRANCH 30 31 ATOM 31 C LIG 1 4.261 -1.024 0.528 0.00 0.00 -0.044 A ATOM 32 C LIG 1 4.894 -1.606 -0.578 0.00 0.00 +0.004 A ATOM 33 C LIG 1 6.111 -1.103 -1.042 0.00 0.00 +0.000 A ATOM 34 C LIG 1 6.703 -0.013 -0.407 0.00 0.00 +0.000 A ATOM 35 C LIG 1 6.079 0.576 0.691 0.00 0.00 +0.000 A ATOM 36 C LIG 1 4.863 0.074 1.156 0.00 0.00 +0.004 A ENDBRANCH 30 31 ENDBRANCH 5 30 TORSDOF 9