REMARK Name = BDB043180 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.034 -2.045 1.099 0.00 0.00 +0.159 C ATOM 2 C LIG 1 0.726 -1.586 -0.211 0.00 0.00 +0.234 C ATOM 3 O LIG 1 0.105 -1.405 -1.259 0.00 0.00 -0.274 OA ATOM 4 N LIG 1 2.088 -1.330 -0.099 0.00 0.00 -0.308 N ATOM 5 H LIG 1 2.598 -2.159 0.182 0.00 0.00 +0.149 HD ATOM 6 C LIG 1 2.761 -0.540 -1.169 0.00 0.00 +0.113 C ATOM 7 C LIG 1 4.304 -0.586 -0.998 0.00 0.00 +0.243 C ATOM 8 C LIG 1 4.811 -2.003 -1.268 0.00 0.00 +0.338 C ATOM 9 O LIG 1 5.275 -2.387 -2.333 0.00 0.00 -0.248 OA ATOM 10 O LIG 1 4.633 -2.786 -0.161 0.00 0.00 -0.459 OA ATOM 11 C LIG 1 4.949 -4.166 -0.375 0.00 0.00 +0.273 C ATOM 12 C LIG 1 4.724 -4.952 0.917 0.00 0.00 +0.273 C ATOM 13 O LIG 1 3.546 -4.592 1.669 0.00 0.00 -0.461 OA ATOM 14 C LIG 1 2.352 -4.527 1.037 0.00 0.00 +0.307 C ATOM 15 O LIG 1 2.171 -4.726 -0.151 0.00 0.00 -0.251 OA ATOM 16 C LIG 1 1.286 -4.094 2.016 0.00 0.00 +0.123 C ATOM 17 C LIG 1 0.024 -3.558 1.340 0.00 0.00 +0.043 C ENDROOT BRANCH 1 19 ATOM 18 C LIG 1 -1.621 -0.220 1.160 0.00 0.00 +0.234 C ATOM 19 N LIG 1 -1.353 -1.571 1.012 0.00 0.00 -0.302 N ATOM 20 H LIG 1 -1.958 -2.089 0.372 0.00 0.00 +0.150 HD ATOM 21 O LIG 1 -0.767 0.573 1.572 0.00 0.00 -0.274 OA BRANCH 18 22 ATOM 22 C LIG 1 -3.052 0.226 0.763 0.00 0.00 +0.166 C BRANCH 22 24 ATOM 23 C LIG 1 -3.730 2.020 2.301 0.00 0.00 +0.401 C ATOM 24 N LIG 1 -3.163 1.641 1.121 0.00 0.00 -0.269 N ATOM 25 H LIG 1 -2.381 2.239 0.868 0.00 0.00 +0.153 HD ATOM 26 O LIG 1 -4.453 1.318 2.998 0.00 0.00 -0.226 OA BRANCH 23 27 ATOM 27 O LIG 1 -3.337 3.286 2.570 0.00 0.00 -0.445 OA BRANCH 27 29 ATOM 28 C LIG 1 -3.269 3.187 5.036 0.00 0.00 +0.055 C ATOM 29 C LIG 1 -3.749 3.948 3.794 0.00 0.00 +0.107 C ATOM 30 C LIG 1 -5.262 4.180 3.814 0.00 0.00 +0.055 C ATOM 31 C LIG 1 -3.045 5.312 3.753 0.00 0.00 +0.055 C ENDBRANCH 27 29 ENDBRANCH 23 27 ENDBRANCH 22 24 BRANCH 22 32 ATOM 32 C LIG 1 -3.323 0.049 -0.743 0.00 0.00 +0.067 C BRANCH 32 33 ATOM 33 C LIG 1 -3.808 -1.334 -1.127 0.00 0.00 -0.045 A ATOM 34 C LIG 1 -5.003 -1.849 -0.604 0.00 0.00 +0.004 A ATOM 35 C LIG 1 -5.438 -3.129 -0.951 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -4.688 -3.906 -1.831 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -3.508 -3.402 -2.369 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -3.073 -2.121 -2.026 0.00 0.00 +0.004 A ENDBRANCH 32 33 ENDBRANCH 22 32 ENDBRANCH 18 22 ENDBRANCH 1 19 BRANCH 7 39 ATOM 39 O LIG 1 4.691 -0.086 0.286 0.00 0.00 -0.379 OA ATOM 40 H LIG 1 4.038 -0.422 0.927 0.00 0.00 +0.211 HD ENDBRANCH 7 39 BRANCH 6 41 ATOM 41 C LIG 1 2.228 0.921 -1.095 0.00 0.00 +0.029 C BRANCH 41 42 ATOM 42 C LIG 1 2.793 1.905 -2.134 0.00 0.00 -0.009 C ATOM 43 C LIG 1 2.569 1.420 -3.580 0.00 0.00 +0.003 C ATOM 44 C LIG 1 2.497 2.561 -4.598 0.00 0.00 +0.000 C ATOM 45 C LIG 1 3.342 3.753 -4.163 0.00 0.00 +0.000 C ATOM 46 C LIG 1 2.837 4.343 -2.851 0.00 0.00 +0.000 C ATOM 47 C LIG 1 2.187 3.300 -1.931 0.00 0.00 +0.003 C ENDBRANCH 41 42 ENDBRANCH 6 41 TORSDOF 10