REMARK Name = BDB013918 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.176 0.253 -0.975 0.00 0.00 +0.160 C ATOM 2 C LIG 1 0.655 0.523 -0.814 0.00 0.00 +0.240 C ATOM 3 O LIG 1 0.239 1.690 -0.764 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 -0.198 -0.587 -0.754 0.00 0.00 -0.265 N ATOM 5 C LIG 1 0.293 -1.930 -0.645 0.00 0.00 +0.040 A ATOM 6 C LIG 1 1.329 -2.247 0.257 0.00 0.00 -0.026 A ATOM 7 C LIG 1 1.782 -3.569 0.364 0.00 0.00 +0.005 A ATOM 8 C LIG 1 1.219 -4.577 -0.417 0.00 0.00 +0.000 A ATOM 9 C LIG 1 0.202 -4.270 -1.312 0.00 0.00 +0.002 A ATOM 10 C LIG 1 1.940 -1.187 1.135 0.00 0.00 +0.039 C ATOM 11 C LIG 1 -0.256 -2.956 -1.424 0.00 0.00 +0.024 A ATOM 12 C LIG 1 2.818 -0.235 0.329 0.00 0.00 +0.036 C ENDROOT BRANCH 1 14 ATOM 13 C LIG 1 2.669 1.923 -2.734 0.00 0.00 +0.230 C ATOM 14 N LIG 1 2.836 1.491 -1.413 0.00 0.00 -0.303 N ATOM 15 H LIG 1 2.880 2.225 -0.713 0.00 0.00 +0.149 HD ATOM 16 O LIG 1 2.179 1.216 -3.618 0.00 0.00 -0.274 OA BRANCH 13 17 ATOM 17 C LIG 1 3.162 3.363 -2.982 0.00 0.00 +0.137 C ATOM 18 C LIG 1 2.223 4.109 -3.933 0.00 0.00 +0.034 C BRANCH 17 20 ATOM 19 C LIG 1 4.825 2.735 -4.697 0.00 0.00 +0.101 C ATOM 20 N LIG 1 4.586 3.376 -3.391 0.00 0.00 -0.309 NA ATOM 21 H LIG 1 4.884 4.348 -3.460 0.00 0.00 +0.122 HD ENDBRANCH 17 20 ENDBRANCH 13 17 ENDBRANCH 1 14 BRANCH 4 22 ATOM 22 C LIG 1 -1.651 -0.357 -0.885 0.00 0.00 +0.153 C BRANCH 22 23 ATOM 23 C LIG 1 -2.475 -0.871 0.296 0.00 0.00 +0.020 A ATOM 24 C LIG 1 -2.444 -0.202 1.566 0.00 0.00 -0.010 A ATOM 25 C LIG 1 -3.165 -0.764 2.652 0.00 0.00 -0.017 A ATOM 26 C LIG 1 -3.165 -0.136 3.910 0.00 0.00 +0.020 A ATOM 27 C LIG 1 -2.473 1.066 4.129 0.00 0.00 +0.018 A ATOM 28 C LIG 1 -1.770 1.642 3.073 0.00 0.00 +0.012 A ATOM 29 C LIG 1 -3.896 -1.945 2.472 0.00 0.00 +0.012 A ATOM 30 C LIG 1 -3.962 -2.571 1.226 0.00 0.00 +0.046 A ATOM 31 C LIG 1 -1.762 1.012 1.820 0.00 0.00 +0.009 A ATOM 32 C LIG 1 -3.279 -2.035 0.133 0.00 0.00 +0.125 A BRANCH 27 33 ATOM 33 C LIG 1 -2.527 1.705 5.485 0.00 0.00 +0.160 C ATOM 34 O LIG 1 -3.011 1.091 6.437 0.00 0.00 -0.292 OA ATOM 35 C LIG 1 -1.979 3.101 5.653 0.00 0.00 +0.091 C ENDBRANCH 27 33 BRANCH 32 36 ATOM 36 O LIG 1 -3.376 -2.542 -1.137 0.00 0.00 -0.495 OA ATOM 37 C LIG 1 -3.991 -3.813 -1.292 0.00 0.00 +0.277 C ENDBRANCH 32 36 ENDBRANCH 22 23 ENDBRANCH 4 22 TORSDOF 7