REMARK Name = BDB027091 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.824 -1.841 0.623 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.669 -3.326 0.928 0.00 0.00 -0.023 A ATOM 3 C LIG 1 -1.807 -3.811 2.239 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.665 -5.172 2.514 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -1.391 -6.066 1.482 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -1.264 -5.602 0.174 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.405 -4.241 -0.103 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -0.798 -0.999 1.440 0.00 0.00 +0.186 C ATOM 9 O LIG 1 -1.073 -0.538 2.551 0.00 0.00 -0.290 OA BRANCH 8 13 ATOM 10 C LIG 1 3.849 0.742 0.728 0.00 0.00 +0.061 A ATOM 11 C LIG 1 2.654 0.033 0.513 0.00 0.00 +0.059 A ATOM 12 C LIG 1 1.581 0.062 1.403 0.00 0.00 +0.011 A ATOM 13 C LIG 1 0.530 -0.751 0.849 0.00 0.00 +0.044 A ATOM 14 C LIG 1 1.022 -1.262 -0.341 0.00 0.00 +0.095 A ATOM 15 C LIG 1 1.724 0.820 2.587 0.00 0.00 +0.011 A ATOM 16 C LIG 1 2.925 1.491 2.848 0.00 0.00 +0.001 A ATOM 17 N LIG 1 2.298 -0.800 -0.522 0.00 0.00 -0.359 N ATOM 18 H LIG 1 2.930 -1.050 -1.276 0.00 0.00 +0.165 HD ATOM 19 C LIG 1 3.977 1.444 1.936 0.00 0.00 +0.015 A BRANCH 10 22 ATOM 20 C LIG 1 5.275 3.156 -0.367 0.00 0.00 +0.132 C ATOM 21 N LIG 1 5.734 1.782 -0.525 0.00 0.00 -0.304 N ATOM 22 C LIG 1 4.944 0.661 -0.272 0.00 0.00 +0.248 C ATOM 23 O LIG 1 5.109 -0.413 -0.851 0.00 0.00 -0.270 OA ATOM 24 C LIG 1 6.925 1.603 -1.338 0.00 0.00 +0.132 C ENDBRANCH 10 22 ENDBRANCH 8 13 ENDBRANCH 1 8 BRANCH 1 25 ATOM 25 N LIG 1 -3.229 -1.432 0.878 0.00 0.00 -0.303 NA ATOM 26 H LIG 1 -3.850 -2.062 0.373 0.00 0.00 +0.123 HD BRANCH 25 27 ATOM 27 C LIG 1 -3.543 -0.041 0.543 0.00 0.00 +0.086 C BRANCH 27 28 ATOM 28 C LIG 1 -3.431 0.304 -0.951 0.00 0.00 +0.051 C BRANCH 28 29 ATOM 29 C LIG 1 -3.884 1.720 -1.235 0.00 0.00 -0.028 A ATOM 30 C LIG 1 -5.221 2.051 -1.516 0.00 0.00 +0.046 A ATOM 31 CL LIG 1 -6.463 0.852 -1.577 0.00 0.00 -0.083 Cl ATOM 32 C LIG 1 -5.593 3.377 -1.754 0.00 0.00 +0.040 A ATOM 33 C LIG 1 -4.632 4.383 -1.707 0.00 0.00 +0.042 A ATOM 34 CL LIG 1 -5.089 6.016 -2.001 0.00 0.00 -0.083 Cl ATOM 35 C LIG 1 -3.304 4.079 -1.421 0.00 0.00 +0.020 A ATOM 36 C LIG 1 -2.932 2.754 -1.183 0.00 0.00 +0.006 A ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 8