REMARK Name = BDB065204 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.857 -0.339 0.669 0.00 0.00 +0.122 A ATOM 2 C LIG 1 1.288 0.151 -0.503 0.00 0.00 +0.046 A ATOM 3 C LIG 1 -0.061 0.525 -0.531 0.00 0.00 +0.012 A ATOM 4 C LIG 1 -0.868 0.407 0.609 0.00 0.00 -0.017 A ATOM 5 C LIG 1 -0.293 -0.098 1.781 0.00 0.00 +0.012 A ATOM 6 C LIG 1 1.054 -0.471 1.806 0.00 0.00 +0.046 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -2.286 0.798 0.573 0.00 0.00 -0.010 A ATOM 8 C LIG 1 -3.310 -0.084 0.120 0.00 0.00 -0.010 A ATOM 9 C LIG 1 -4.654 0.372 0.111 0.00 0.00 -0.017 A ATOM 10 C LIG 1 -5.681 -0.477 -0.333 0.00 0.00 +0.008 A ATOM 11 C LIG 1 -5.405 -1.772 -0.768 0.00 0.00 +0.001 A ATOM 12 C LIG 1 -4.096 -2.236 -0.764 0.00 0.00 +0.001 A ATOM 13 C LIG 1 -4.954 1.671 0.547 0.00 0.00 +0.008 A ATOM 14 C LIG 1 -3.950 2.527 0.991 0.00 0.00 +0.001 A ATOM 15 C LIG 1 -3.064 -1.404 -0.326 0.00 0.00 +0.009 A ATOM 16 C LIG 1 -2.628 2.093 1.004 0.00 0.00 +0.009 A ENDBRANCH 4 7 BRANCH 1 17 ATOM 17 O LIG 1 3.146 -0.745 0.848 0.00 0.00 -0.475 OA BRANCH 17 19 ATOM 18 C LIG 1 4.338 1.187 -0.054 0.00 0.00 +0.067 C ATOM 19 C LIG 1 4.207 -0.346 -0.028 0.00 0.00 +0.200 C ATOM 20 C LIG 1 5.466 -0.920 0.652 0.00 0.00 +0.067 C BRANCH 19 21 ATOM 21 C LIG 1 4.170 -0.978 -1.444 0.00 0.00 +0.348 C ATOM 22 O LIG 1 3.402 -1.864 -1.794 0.00 0.00 -0.247 OA BRANCH 21 23 ATOM 23 O LIG 1 5.097 -0.494 -2.310 0.00 0.00 -0.478 OA ATOM 24 H LIG 1 5.711 0.172 -1.952 0.00 0.00 +0.295 HD ENDBRANCH 21 23 ENDBRANCH 19 21 ENDBRANCH 17 19 ENDBRANCH 1 17 TORSDOF 5