REMARK Name = BDB002387 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.165 1.159 -1.010 0.00 0.00 +0.156 C ATOM 2 C LIG 1 0.256 0.957 -2.464 0.00 0.00 +0.038 C ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 -1.531 0.592 -0.774 0.00 0.00 +0.217 A ATOM 4 O LIG 1 -2.592 1.364 -1.153 0.00 0.00 -0.437 OA ATOM 5 C LIG 1 -3.698 0.622 -0.815 0.00 0.00 +0.163 A ATOM 6 C LIG 1 -3.239 -0.571 -0.281 0.00 0.00 +0.117 A ATOM 7 N LIG 1 -1.859 -0.567 -0.236 0.00 0.00 -0.211 NA BRANCH 5 8 ATOM 8 C LIG 1 -4.980 1.266 -1.060 0.00 0.00 +0.019 A ATOM 9 C LIG 1 -5.176 2.045 -2.210 0.00 0.00 +0.011 A ATOM 10 C LIG 1 -6.404 2.663 -2.454 0.00 0.00 +0.001 A ATOM 11 C LIG 1 -7.452 2.515 -1.547 0.00 0.00 +0.000 A ATOM 12 C LIG 1 -7.270 1.752 -0.396 0.00 0.00 +0.001 A ATOM 13 C LIG 1 -6.040 1.133 -0.153 0.00 0.00 +0.011 A ENDBRANCH 5 8 BRANCH 6 14 ATOM 14 C LIG 1 -4.023 -1.697 0.188 0.00 0.00 +0.004 A ATOM 15 C LIG 1 -3.631 -2.368 1.355 0.00 0.00 +0.010 A ATOM 16 C LIG 1 -4.365 -3.458 1.827 0.00 0.00 +0.001 A ATOM 17 C LIG 1 -5.491 -3.894 1.132 0.00 0.00 +0.000 A ATOM 18 C LIG 1 -5.881 -3.245 -0.039 0.00 0.00 +0.001 A ATOM 19 C LIG 1 -5.147 -2.155 -0.512 0.00 0.00 +0.010 A ENDBRANCH 6 14 ENDBRANCH 1 3 BRANCH 1 21 ATOM 20 C LIG 1 1.982 1.025 0.217 0.00 0.00 +0.234 C ATOM 21 N LIG 1 0.759 0.493 -0.102 0.00 0.00 -0.303 N ATOM 22 H LIG 1 0.546 -0.472 0.129 0.00 0.00 +0.150 HD ATOM 23 O LIG 1 2.354 2.132 -0.172 0.00 0.00 -0.274 OA BRANCH 20 24 ATOM 24 C LIG 1 2.850 0.148 1.145 0.00 0.00 +0.161 C BRANCH 24 26 ATOM 25 C LIG 1 4.747 -0.487 -0.293 0.00 0.00 +0.230 C ATOM 26 N LIG 1 4.223 0.344 0.676 0.00 0.00 -0.302 N ATOM 27 H LIG 1 4.520 1.313 0.653 0.00 0.00 +0.150 HD ATOM 28 O LIG 1 4.201 -1.543 -0.616 0.00 0.00 -0.274 OA BRANCH 25 29 ATOM 29 C LIG 1 6.120 -0.051 -0.873 0.00 0.00 +0.137 C ATOM 30 C LIG 1 6.076 1.359 -1.455 0.00 0.00 +0.034 C BRANCH 29 32 ATOM 31 C LIG 1 7.921 -1.298 -1.933 0.00 0.00 +0.101 C ATOM 32 N LIG 1 6.499 -0.992 -1.951 0.00 0.00 -0.309 NA ATOM 33 H LIG 1 5.965 -1.857 -1.810 0.00 0.00 +0.122 HD ENDBRANCH 29 32 ENDBRANCH 25 29 ENDBRANCH 24 26 BRANCH 24 34 ATOM 34 C LIG 1 2.696 0.577 2.620 0.00 0.00 +0.012 C ATOM 35 C LIG 1 1.260 0.398 3.125 0.00 0.00 +0.009 C ATOM 36 C LIG 1 3.644 -0.219 3.526 0.00 0.00 +0.009 C ENDBRANCH 24 34 ENDBRANCH 20 24 ENDBRANCH 1 21 TORSDOF 9