REMARK Name = BDB013920 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.115 -0.232 -1.372 0.00 0.00 +0.160 C ATOM 2 C LIG 1 -2.051 -0.792 -0.418 0.00 0.00 +0.240 C ATOM 3 O LIG 1 -2.406 -1.514 0.528 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 -0.703 -0.532 -0.665 0.00 0.00 -0.265 N ATOM 5 C LIG 1 -0.152 -0.262 -1.970 0.00 0.00 +0.040 A ATOM 6 C LIG 1 -0.721 0.591 -2.936 0.00 0.00 -0.026 A ATOM 7 C LIG 1 -0.063 0.756 -4.184 0.00 0.00 +0.005 A ATOM 8 C LIG 1 1.123 0.101 -4.493 0.00 0.00 +0.000 A ATOM 9 C LIG 1 1.682 -0.743 -3.556 0.00 0.00 +0.002 A ATOM 10 C LIG 1 -1.950 1.455 -2.798 0.00 0.00 +0.039 C ATOM 11 C LIG 1 1.050 -0.919 -2.322 0.00 0.00 +0.024 A ATOM 12 C LIG 1 -2.871 1.244 -1.619 0.00 0.00 +0.036 C ENDROOT BRANCH 1 14 ATOM 13 C LIG 1 -4.996 0.197 0.240 0.00 0.00 +0.230 C ATOM 14 N LIG 1 -4.438 -0.538 -0.800 0.00 0.00 -0.303 N ATOM 15 H LIG 1 -4.639 -1.529 -0.757 0.00 0.00 +0.149 HD ATOM 16 O LIG 1 -4.648 1.332 0.549 0.00 0.00 -0.274 OA BRANCH 13 17 ATOM 17 C LIG 1 -6.080 -0.597 1.006 0.00 0.00 +0.137 C ATOM 18 C LIG 1 -7.047 0.331 1.738 0.00 0.00 +0.034 C BRANCH 17 20 ATOM 19 C LIG 1 -4.816 -1.049 3.073 0.00 0.00 +0.101 C ATOM 20 N LIG 1 -5.431 -1.615 1.873 0.00 0.00 -0.309 NA ATOM 21 H LIG 1 -4.672 -2.056 1.346 0.00 0.00 +0.122 HD ENDBRANCH 17 20 ENDBRANCH 13 17 ENDBRANCH 1 14 BRANCH 4 22 ATOM 22 C LIG 1 0.204 -0.868 0.457 0.00 0.00 +0.153 C BRANCH 22 23 ATOM 23 C LIG 1 1.306 0.153 0.734 0.00 0.00 +0.020 A ATOM 24 C LIG 1 2.692 -0.214 0.777 0.00 0.00 -0.010 A ATOM 25 C LIG 1 3.656 0.801 0.978 0.00 0.00 -0.017 A ATOM 26 C LIG 1 5.028 0.492 1.000 0.00 0.00 +0.014 A ATOM 27 C LIG 1 5.505 -0.820 0.846 0.00 0.00 -0.019 A ATOM 28 C LIG 1 4.561 -1.829 0.673 0.00 0.00 +0.007 A ATOM 29 C LIG 1 3.249 2.127 1.164 0.00 0.00 +0.012 A ATOM 30 C LIG 1 1.900 2.469 1.189 0.00 0.00 +0.046 A ATOM 31 C LIG 1 3.190 -1.533 0.642 0.00 0.00 +0.009 A ATOM 32 C LIG 1 0.926 1.493 0.995 0.00 0.00 +0.125 A BRANCH 27 33 ATOM 33 C LIG 1 6.998 -1.065 0.910 0.00 0.00 +0.141 C ATOM 34 C LIG 1 7.462 -2.505 0.711 0.00 0.00 +0.043 C BRANCH 33 35 ATOM 35 O LIG 1 7.622 -0.254 -0.087 0.00 0.00 -0.387 OA ATOM 36 H LIG 1 8.582 -0.367 0.007 0.00 0.00 +0.210 HD ENDBRANCH 33 35 ENDBRANCH 27 33 BRANCH 32 37 ATOM 37 O LIG 1 -0.422 1.738 1.054 0.00 0.00 -0.495 OA ATOM 38 C LIG 1 -0.852 3.038 1.437 0.00 0.00 +0.277 C ENDBRANCH 32 37 ENDBRANCH 22 23 ENDBRANCH 4 22 TORSDOF 8