REMARK Name = BDB057920 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.442 -0.198 3.813 0.00 0.00 +0.046 C ATOM 2 C LIG 1 1.213 -0.940 2.776 0.00 0.00 -0.022 A ATOM 3 C LIG 1 0.691 -1.518 1.577 0.00 0.00 +0.004 A ATOM 4 C LIG 1 1.753 -2.115 0.895 0.00 0.00 +0.050 A ATOM 5 C LIG 1 1.566 -2.784 -0.327 0.00 0.00 +0.027 A ATOM 6 C LIG 1 0.277 -2.838 -0.864 0.00 0.00 +0.015 A ATOM 7 C LIG 1 -0.800 -2.237 -0.212 0.00 0.00 +0.037 A ATOM 8 N LIG 1 2.893 -1.899 1.652 0.00 0.00 -0.339 N ATOM 9 C LIG 1 -0.605 -1.587 1.016 0.00 0.00 +0.023 A ATOM 10 C LIG 1 2.576 -1.198 2.801 0.00 0.00 +0.020 A ATOM 11 C LIG 1 3.589 -0.813 3.825 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 -2.147 -2.329 -0.842 0.00 0.00 +0.245 C ATOM 13 N LIG 1 -3.022 -1.303 -0.558 0.00 0.00 -0.305 N ATOM 14 H LIG 1 -2.666 -0.464 -0.121 0.00 0.00 +0.150 HD ATOM 15 O LIG 1 -2.416 -3.261 -1.591 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 -4.339 -1.222 -1.185 0.00 0.00 +0.104 C BRANCH 16 17 ATOM 17 C LIG 1 -4.777 0.234 -1.157 0.00 0.00 -0.027 A ATOM 18 C LIG 1 -5.204 0.860 0.028 0.00 0.00 +0.009 A ATOM 19 C LIG 1 -5.578 2.214 0.048 0.00 0.00 -0.044 A ATOM 20 C LIG 1 -5.504 2.948 -1.143 0.00 0.00 +0.004 A ATOM 21 C LIG 1 -5.062 2.348 -2.321 0.00 0.00 +0.001 A ATOM 22 C LIG 1 -4.695 1.003 -2.328 0.00 0.00 +0.005 A BRANCH 19 23 ATOM 23 C LIG 1 -6.050 2.845 1.346 0.00 0.00 +0.013 C ATOM 24 C LIG 1 -7.499 3.327 1.243 0.00 0.00 +0.012 C ATOM 25 C LIG 1 -5.126 3.984 1.787 0.00 0.00 +0.012 C ENDBRANCH 19 23 ENDBRANCH 16 17 BRANCH 16 26 ATOM 26 C LIG 1 -5.323 -2.216 -0.520 0.00 0.00 +0.030 C BRANCH 26 27 ATOM 27 C LIG 1 -6.546 -2.606 -1.380 0.00 0.00 -0.015 C ATOM 28 C LIG 1 -7.282 -3.776 -0.717 0.00 0.00 +0.007 C ATOM 29 C LIG 1 -7.530 -1.458 -1.603 0.00 0.00 +0.007 C ENDBRANCH 26 27 ENDBRANCH 16 26 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 30 ATOM 30 C LIG 1 4.226 -2.397 1.306 0.00 0.00 +0.157 C BRANCH 30 31 ATOM 31 C LIG 1 5.147 -1.314 0.795 0.00 0.00 -0.028 A ATOM 32 C LIG 1 6.421 -1.155 1.357 0.00 0.00 +0.006 A ATOM 33 C LIG 1 7.296 -0.175 0.878 0.00 0.00 +0.009 A ATOM 34 C LIG 1 6.927 0.665 -0.182 0.00 0.00 -0.017 A ATOM 35 C LIG 1 5.655 0.498 -0.749 0.00 0.00 +0.009 A ATOM 36 C LIG 1 4.779 -0.482 -0.272 0.00 0.00 +0.006 A BRANCH 34 37 ATOM 37 C LIG 1 7.843 1.703 -0.677 0.00 0.00 -0.004 A ATOM 38 C LIG 1 8.433 1.672 -1.957 0.00 0.00 +0.067 A ATOM 39 C LIG 1 9.235 2.732 -2.408 0.00 0.00 +0.015 A ATOM 40 C LIG 1 9.489 3.821 -1.578 0.00 0.00 +0.001 A ATOM 41 C LIG 1 8.936 3.860 -0.301 0.00 0.00 +0.001 A ATOM 42 C LIG 1 8.120 2.815 0.142 0.00 0.00 +0.009 A BRANCH 38 43 ATOM 43 C LIG 1 8.238 0.551 -2.897 0.00 0.00 +0.337 C ATOM 44 O LIG 1 7.927 0.654 -4.069 0.00 0.00 -0.245 OA BRANCH 43 45 ATOM 45 O LIG 1 8.543 -0.631 -2.338 0.00 0.00 -0.477 OA ATOM 46 H LIG 1 8.391 -1.283 -3.053 0.00 0.00 +0.295 HD ENDBRANCH 43 45 ENDBRANCH 38 43 ENDBRANCH 34 37 ENDBRANCH 30 31 ENDBRANCH 8 30 TORSDOF 11