REMARK Name = BDB006324 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.565 1.728 3.770 0.00 0.00 +0.046 C ATOM 2 C LIG 1 -0.939 1.433 2.359 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -0.291 0.505 1.486 0.00 0.00 +0.004 A ATOM 4 C LIG 1 -0.964 0.531 0.262 0.00 0.00 +0.050 A ATOM 5 C LIG 1 -0.576 -0.289 -0.813 0.00 0.00 +0.027 A ATOM 6 C LIG 1 0.522 -1.140 -0.642 0.00 0.00 +0.015 A ATOM 7 C LIG 1 1.223 -1.169 0.565 0.00 0.00 +0.037 A ATOM 8 N LIG 1 -1.992 1.450 0.386 0.00 0.00 -0.339 N ATOM 9 C LIG 1 0.814 -0.361 1.636 0.00 0.00 +0.023 A ATOM 10 C LIG 1 -1.980 2.012 1.649 0.00 0.00 +0.020 A ATOM 11 C LIG 1 -2.965 3.040 2.092 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 2.398 -2.061 0.770 0.00 0.00 +0.244 C ATOM 13 N LIG 1 3.137 -2.360 -0.355 0.00 0.00 -0.307 N ATOM 14 H LIG 1 3.000 -1.802 -1.185 0.00 0.00 +0.149 HD ATOM 15 O LIG 1 2.680 -2.460 1.894 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 4.388 -3.082 -0.265 0.00 0.00 +0.139 C BRANCH 16 17 ATOM 17 C LIG 1 5.557 -2.137 -0.363 0.00 0.00 -0.030 A ATOM 18 C LIG 1 6.252 -1.973 -1.564 0.00 0.00 +0.005 A ATOM 19 C LIG 1 7.325 -1.076 -1.653 0.00 0.00 +0.004 A ATOM 20 C LIG 1 7.732 -0.310 -0.548 0.00 0.00 -0.042 A ATOM 21 C LIG 1 7.016 -0.483 0.652 0.00 0.00 +0.004 A ATOM 22 C LIG 1 5.946 -1.378 0.744 0.00 0.00 +0.005 A BRANCH 20 23 ATOM 23 C LIG 1 8.904 0.685 -0.611 0.00 0.00 -0.013 C ATOM 24 C LIG 1 8.396 2.105 -0.281 0.00 0.00 +0.015 C ATOM 25 C LIG 1 9.984 0.281 0.415 0.00 0.00 +0.015 C ATOM 26 C LIG 1 9.591 0.754 -1.993 0.00 0.00 +0.015 C ENDBRANCH 20 23 ENDBRANCH 16 17 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 27 ATOM 27 C LIG 1 -2.917 1.812 -0.691 0.00 0.00 +0.157 C BRANCH 27 28 ATOM 28 C LIG 1 -4.296 1.222 -0.514 0.00 0.00 -0.028 A ATOM 29 C LIG 1 -4.486 -0.148 -0.284 0.00 0.00 +0.006 A ATOM 30 C LIG 1 -5.773 -0.678 -0.153 0.00 0.00 +0.009 A ATOM 31 C LIG 1 -6.905 0.143 -0.259 0.00 0.00 -0.017 A ATOM 32 C LIG 1 -6.713 1.511 -0.498 0.00 0.00 +0.009 A ATOM 33 C LIG 1 -5.427 2.043 -0.630 0.00 0.00 +0.006 A BRANCH 31 34 ATOM 34 C LIG 1 -8.258 -0.414 -0.108 0.00 0.00 -0.004 A ATOM 35 C LIG 1 -8.847 -1.285 -1.047 0.00 0.00 +0.067 A ATOM 36 C LIG 1 -10.109 -1.853 -0.810 0.00 0.00 +0.015 A ATOM 37 C LIG 1 -10.815 -1.534 0.348 0.00 0.00 +0.001 A ATOM 38 C LIG 1 -10.260 -0.657 1.276 0.00 0.00 +0.001 A ATOM 39 C LIG 1 -8.995 -0.107 1.052 0.00 0.00 +0.009 A BRANCH 35 40 ATOM 40 C LIG 1 -8.185 -1.664 -2.310 0.00 0.00 +0.337 C ATOM 41 O LIG 1 -8.073 -2.796 -2.742 0.00 0.00 -0.245 OA BRANCH 40 42 ATOM 42 O LIG 1 -7.791 -0.590 -3.014 0.00 0.00 -0.477 OA ATOM 43 H LIG 1 -7.392 -0.965 -3.825 0.00 0.00 +0.295 HD ENDBRANCH 40 42 ENDBRANCH 35 40 ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 8 27 TORSDOF 9