REMARK Name = BDB027089 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.639 -0.287 -1.847 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.779 -1.634 -1.148 0.00 0.00 -0.023 A ATOM 3 C LIG 1 -0.856 -1.746 0.248 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -0.996 -2.995 0.856 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -1.065 -4.148 0.079 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -0.999 -4.055 -1.309 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -0.860 -2.808 -1.919 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 0.178 0.786 -1.069 0.00 0.00 +0.186 C ATOM 9 O LIG 1 -0.319 1.850 -0.696 0.00 0.00 -0.290 OA BRANCH 8 13 ATOM 10 C LIG 1 4.859 1.248 0.674 0.00 0.00 +0.061 A ATOM 11 C LIG 1 3.750 0.707 -0.002 0.00 0.00 +0.059 A ATOM 12 C LIG 1 2.510 1.349 -0.038 0.00 0.00 +0.011 A ATOM 13 C LIG 1 1.606 0.520 -0.791 0.00 0.00 +0.044 A ATOM 14 C LIG 1 2.347 -0.571 -1.216 0.00 0.00 +0.095 A ATOM 15 C LIG 1 2.386 2.593 0.623 0.00 0.00 +0.011 A ATOM 16 C LIG 1 3.491 3.159 1.270 0.00 0.00 +0.001 A ATOM 17 N LIG 1 3.628 -0.439 -0.753 0.00 0.00 -0.359 N ATOM 18 H LIG 1 4.390 -1.081 -0.936 0.00 0.00 +0.165 HD ATOM 19 C LIG 1 4.715 2.497 1.290 0.00 0.00 +0.015 A BRANCH 10 23 ATOM 20 C LIG 1 7.296 -1.566 1.196 0.00 0.00 +0.128 C ATOM 21 N LIG 1 6.090 -0.816 0.947 0.00 0.00 -0.314 N ATOM 22 H LIG 1 5.233 -1.163 1.361 0.00 0.00 +0.149 HD ATOM 23 C LIG 1 6.162 0.549 0.739 0.00 0.00 +0.246 C ATOM 24 O LIG 1 7.210 1.176 0.654 0.00 0.00 -0.270 OA ENDBRANCH 10 23 ENDBRANCH 8 13 ENDBRANCH 1 8 BRANCH 1 25 ATOM 25 N LIG 1 -1.915 0.224 -2.424 0.00 0.00 -0.303 NA ATOM 26 H LIG 1 -2.129 -0.358 -3.233 0.00 0.00 +0.123 HD BRANCH 25 27 ATOM 27 C LIG 1 -3.107 0.209 -1.562 0.00 0.00 +0.086 C BRANCH 27 28 ATOM 28 C LIG 1 -3.144 1.237 -0.423 0.00 0.00 +0.051 C BRANCH 28 29 ATOM 29 C LIG 1 -4.529 1.359 0.184 0.00 0.00 -0.028 A ATOM 30 C LIG 1 -5.006 0.502 1.190 0.00 0.00 +0.046 A ATOM 31 CL LIG 1 -4.037 -0.767 1.848 0.00 0.00 -0.083 Cl ATOM 32 C LIG 1 -6.299 0.651 1.701 0.00 0.00 +0.040 A ATOM 33 C LIG 1 -7.127 1.655 1.207 0.00 0.00 +0.042 A ATOM 34 CL LIG 1 -8.719 1.836 1.834 0.00 0.00 -0.083 Cl ATOM 35 C LIG 1 -6.677 2.512 0.207 0.00 0.00 +0.020 A ATOM 36 C LIG 1 -5.386 2.363 -0.302 0.00 0.00 +0.006 A ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 8