REMARK Name = BDB007110 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.820 -4.313 1.576 0.00 0.00 +0.046 C ATOM 2 C LIG 1 2.567 -2.847 1.486 0.00 0.00 -0.022 A ATOM 3 C LIG 1 1.422 -2.217 0.907 0.00 0.00 +0.004 A ATOM 4 C LIG 1 1.591 -0.836 1.024 0.00 0.00 +0.050 A ATOM 5 C LIG 1 0.635 0.072 0.536 0.00 0.00 +0.027 A ATOM 6 C LIG 1 -0.518 -0.436 -0.072 0.00 0.00 +0.015 A ATOM 7 C LIG 1 -0.719 -1.813 -0.184 0.00 0.00 +0.037 A ATOM 8 N LIG 1 2.809 -0.629 1.652 0.00 0.00 -0.339 N ATOM 9 C LIG 1 0.252 -2.708 0.289 0.00 0.00 +0.023 A ATOM 10 C LIG 1 3.407 -1.841 1.942 0.00 0.00 +0.020 A ATOM 11 C LIG 1 4.734 -1.953 2.615 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 -1.939 -2.378 -0.825 0.00 0.00 +0.245 C ATOM 13 N LIG 1 -3.087 -1.627 -0.709 0.00 0.00 -0.305 N ATOM 14 H LIG 1 -3.103 -0.833 -0.085 0.00 0.00 +0.150 HD ATOM 15 O LIG 1 -1.894 -3.464 -1.390 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 -4.362 -2.085 -1.236 0.00 0.00 +0.100 C ATOM 17 C LIG 1 -4.986 -3.155 -0.335 0.00 0.00 +0.033 C BRANCH 16 18 ATOM 18 C LIG 1 -5.270 -0.887 -1.451 0.00 0.00 -0.027 A ATOM 19 C LIG 1 -5.908 -0.234 -0.381 0.00 0.00 +0.009 A ATOM 20 C LIG 1 -6.723 0.891 -0.590 0.00 0.00 -0.044 A ATOM 21 C LIG 1 -6.889 1.366 -1.898 0.00 0.00 +0.004 A ATOM 22 C LIG 1 -6.253 0.737 -2.968 0.00 0.00 +0.001 A ATOM 23 C LIG 1 -5.446 -0.378 -2.745 0.00 0.00 +0.005 A BRANCH 20 24 ATOM 24 C LIG 1 -7.398 1.565 0.593 0.00 0.00 +0.013 C ATOM 25 C LIG 1 -6.913 3.006 0.769 0.00 0.00 +0.012 C ATOM 26 C LIG 1 -8.923 1.512 0.477 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 3.353 0.685 1.999 0.00 0.00 +0.157 C BRANCH 27 28 ATOM 28 C LIG 1 4.467 1.134 1.081 0.00 0.00 -0.028 A ATOM 29 C LIG 1 4.346 1.072 -0.313 0.00 0.00 +0.009 A ATOM 30 C LIG 1 5.382 1.522 -1.137 0.00 0.00 +0.046 A ATOM 31 C LIG 1 6.552 2.050 -0.589 0.00 0.00 +0.121 A ATOM 32 C LIG 1 6.676 2.130 0.797 0.00 0.00 +0.046 A ATOM 33 C LIG 1 5.639 1.680 1.624 0.00 0.00 +0.009 A BRANCH 31 34 ATOM 34 O LIG 1 7.484 2.451 -1.506 0.00 0.00 -0.481 OA BRANCH 34 35 ATOM 35 C LIG 1 8.709 2.977 -0.988 0.00 0.00 +0.349 C BRANCH 35 36 ATOM 36 C LIG 1 9.610 3.348 -2.154 0.00 0.00 +0.343 C ATOM 37 O LIG 1 10.726 3.832 -2.026 0.00 0.00 -0.247 OA BRANCH 36 38 ATOM 38 O LIG 1 9.058 3.091 -3.365 0.00 0.00 -0.478 OA ATOM 39 H LIG 1 8.163 2.704 -3.240 0.00 0.00 +0.295 HD ENDBRANCH 36 38 ENDBRANCH 35 36 ENDBRANCH 34 35 ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 8 27 TORSDOF 10