REMARK Name = BDB014018 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.959 -0.372 0.185 0.00 0.00 +0.160 C ATOM 2 C LIG 1 2.906 0.219 -0.778 0.00 0.00 +0.240 C ATOM 3 O LIG 1 3.286 0.801 -1.804 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 1.557 0.001 -0.483 0.00 0.00 -0.265 N ATOM 5 C LIG 1 1.105 -0.595 0.738 0.00 0.00 +0.040 A ATOM 6 C LIG 1 1.686 -0.253 1.977 0.00 0.00 -0.026 A ATOM 7 C LIG 1 1.238 -0.875 3.155 0.00 0.00 +0.005 A ATOM 8 C LIG 1 0.208 -1.812 3.116 0.00 0.00 +0.000 A ATOM 9 C LIG 1 -0.387 -2.133 1.902 0.00 0.00 +0.002 A ATOM 10 C LIG 1 2.728 0.828 2.078 0.00 0.00 +0.039 C ATOM 11 C LIG 1 0.056 -1.527 0.724 0.00 0.00 +0.024 A ATOM 12 C LIG 1 4.066 0.406 1.494 0.00 0.00 +0.036 C ENDROOT BRANCH 1 14 ATOM 13 C LIG 1 6.289 -1.192 -0.158 0.00 0.00 +0.230 C ATOM 14 N LIG 1 5.245 -0.373 -0.515 0.00 0.00 -0.303 N ATOM 15 H LIG 1 5.297 0.197 -1.355 0.00 0.00 +0.149 HD ATOM 16 O LIG 1 6.234 -1.964 0.798 0.00 0.00 -0.274 OA BRANCH 13 17 ATOM 17 C LIG 1 7.528 -1.069 -1.072 0.00 0.00 +0.137 C ATOM 18 C LIG 1 7.283 -1.864 -2.351 0.00 0.00 +0.034 C BRANCH 17 20 ATOM 19 C LIG 1 9.238 -0.679 0.609 0.00 0.00 +0.101 C ATOM 20 N LIG 1 8.734 -1.603 -0.401 0.00 0.00 -0.309 NA ATOM 21 H LIG 1 8.455 -2.468 0.073 0.00 0.00 +0.122 HD ENDBRANCH 17 20 ENDBRANCH 13 17 ENDBRANCH 1 14 BRANCH 4 22 ATOM 22 C LIG 1 0.568 0.379 -1.506 0.00 0.00 +0.153 C BRANCH 22 23 ATOM 23 C LIG 1 -0.492 1.363 -1.031 0.00 0.00 +0.020 A ATOM 24 C LIG 1 -1.893 1.071 -1.074 0.00 0.00 -0.010 A ATOM 25 C LIG 1 -2.806 2.032 -0.563 0.00 0.00 -0.017 A ATOM 26 C LIG 1 -4.188 1.778 -0.566 0.00 0.00 +0.013 A ATOM 27 C LIG 1 -4.716 0.584 -1.071 0.00 0.00 -0.033 A ATOM 28 C LIG 1 -3.836 -0.359 -1.596 0.00 0.00 +0.005 A ATOM 29 C LIG 1 -2.340 3.248 -0.047 0.00 0.00 +0.012 A ATOM 30 C LIG 1 -0.984 3.546 -0.045 0.00 0.00 +0.046 A ATOM 31 C LIG 1 -2.457 -0.119 -1.598 0.00 0.00 +0.009 A ATOM 32 C LIG 1 -0.077 2.625 -0.556 0.00 0.00 +0.125 A BRANCH 32 33 ATOM 33 O LIG 1 1.256 2.950 -0.523 0.00 0.00 -0.495 OA ATOM 34 C LIG 1 1.591 3.803 -1.619 0.00 0.00 +0.277 C ENDBRANCH 32 33 BRANCH 27 35 ATOM 35 C LIG 1 -6.210 0.336 -1.067 0.00 0.00 +0.119 C BRANCH 35 36 ATOM 36 N LIG 1 -6.823 0.445 0.267 0.00 0.00 -0.296 NA ATOM 37 C LIG 1 -8.300 0.374 0.188 0.00 0.00 +0.100 C ATOM 38 C LIG 1 -8.937 -0.986 0.577 0.00 0.00 +0.096 C ATOM 39 N LIG 1 -8.102 -2.144 0.224 0.00 0.00 -0.314 NA ATOM 40 H LIG 1 -7.949 -2.116 -0.783 0.00 0.00 +0.122 HD ATOM 41 C LIG 1 -6.790 -2.029 0.889 0.00 0.00 +0.096 C ATOM 42 C LIG 1 -6.332 -0.583 1.207 0.00 0.00 +0.100 C ENDBRANCH 35 36 ENDBRANCH 27 35 ENDBRANCH 22 23 ENDBRANCH 4 22 TORSDOF 8