REMARK Name = BDB006566 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.451 -2.867 1.127 0.00 0.00 +0.046 C ATOM 2 C LIG 1 -0.593 -2.003 0.269 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -0.902 -0.684 -0.188 0.00 0.00 +0.004 A ATOM 4 C LIG 1 0.178 -0.234 -0.949 0.00 0.00 +0.050 A ATOM 5 C LIG 1 0.193 1.047 -1.529 0.00 0.00 +0.027 A ATOM 6 C LIG 1 -0.918 1.875 -1.340 0.00 0.00 +0.015 A ATOM 7 C LIG 1 -2.020 1.442 -0.602 0.00 0.00 +0.037 A ATOM 8 N LIG 1 1.118 -1.252 -0.962 0.00 0.00 -0.339 N ATOM 9 C LIG 1 -2.014 0.170 -0.008 0.00 0.00 +0.023 A ATOM 10 C LIG 1 0.654 -2.336 -0.239 0.00 0.00 +0.020 A ATOM 11 C LIG 1 1.437 -3.593 -0.066 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 -3.174 2.370 -0.447 0.00 0.00 +0.245 C ATOM 13 N LIG 1 -4.408 1.782 -0.282 0.00 0.00 -0.305 N ATOM 14 H LIG 1 -4.509 0.786 -0.417 0.00 0.00 +0.150 HD ATOM 15 O LIG 1 -3.004 3.583 -0.500 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 -5.626 2.567 -0.172 0.00 0.00 +0.100 C ATOM 17 C LIG 1 -6.071 3.102 -1.537 0.00 0.00 +0.033 C BRANCH 16 18 ATOM 18 C LIG 1 -6.695 1.733 0.514 0.00 0.00 -0.027 A ATOM 19 C LIG 1 -7.378 0.702 -0.155 0.00 0.00 +0.009 A ATOM 20 C LIG 1 -8.345 -0.081 0.498 0.00 0.00 -0.044 A ATOM 21 C LIG 1 -8.617 0.178 1.848 0.00 0.00 +0.004 A ATOM 22 C LIG 1 -7.938 1.188 2.528 0.00 0.00 +0.001 A ATOM 23 C LIG 1 -6.981 1.957 1.868 0.00 0.00 +0.005 A BRANCH 20 24 ATOM 24 C LIG 1 -9.090 -1.192 -0.221 0.00 0.00 +0.013 C ATOM 25 C LIG 1 -8.138 -2.295 -0.689 0.00 0.00 +0.012 C ATOM 26 C LIG 1 -9.915 -0.651 -1.392 0.00 0.00 +0.012 C ENDBRANCH 20 24 ENDBRANCH 16 18 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 27 ATOM 27 C LIG 1 2.387 -1.200 -1.690 0.00 0.00 +0.157 C BRANCH 27 28 ATOM 28 C LIG 1 3.582 -1.013 -0.786 0.00 0.00 -0.028 A ATOM 29 C LIG 1 3.654 0.054 0.119 0.00 0.00 +0.006 A ATOM 30 C LIG 1 4.781 0.228 0.930 0.00 0.00 +0.009 A ATOM 31 C LIG 1 5.873 -0.648 0.852 0.00 0.00 -0.017 A ATOM 32 C LIG 1 5.797 -1.712 -0.060 0.00 0.00 +0.009 A ATOM 33 C LIG 1 4.673 -1.889 -0.873 0.00 0.00 +0.006 A BRANCH 31 34 ATOM 34 C LIG 1 7.060 -0.470 1.707 0.00 0.00 -0.006 A ATOM 35 C LIG 1 7.853 0.696 1.698 0.00 0.00 +0.045 A ATOM 36 C LIG 1 8.954 0.840 2.556 0.00 0.00 +0.013 A ATOM 37 C LIG 1 9.301 -0.195 3.420 0.00 0.00 +0.001 A ATOM 38 C LIG 1 8.545 -1.364 3.436 0.00 0.00 +0.001 A ATOM 39 C LIG 1 7.437 -1.498 2.593 0.00 0.00 +0.009 A BRANCH 35 40 ATOM 40 C LIG 1 7.554 1.839 0.810 0.00 0.00 +0.247 C ATOM 41 N LIG 1 7.919 1.759 -0.532 0.00 0.00 -0.304 N ATOM 42 C LIG 1 8.585 0.622 -1.149 0.00 0.00 +0.132 C ATOM 43 C LIG 1 7.499 2.821 -1.429 0.00 0.00 +0.132 C ATOM 44 O LIG 1 7.013 2.816 1.322 0.00 0.00 -0.270 OA ENDBRANCH 35 40 ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 8 27 TORSDOF 8