REMARK Name = BDB056202 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.435 -2.179 0.478 0.00 0.00 +0.190 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 1.907 -3.346 -0.373 0.00 0.00 -0.018 A ATOM 3 C LIG 1 2.376 -4.516 0.245 0.00 0.00 +0.006 A ATOM 4 C LIG 1 2.794 -5.606 -0.521 0.00 0.00 +0.000 A ATOM 5 C LIG 1 2.739 -5.544 -1.911 0.00 0.00 +0.000 A ATOM 6 C LIG 1 2.263 -4.395 -2.539 0.00 0.00 +0.000 A ATOM 7 C LIG 1 1.845 -3.304 -1.776 0.00 0.00 +0.006 A ENDBRANCH 1 2 BRANCH 1 9 ATOM 8 C LIG 1 -0.752 -1.733 1.550 0.00 0.00 +0.234 C ATOM 9 N LIG 1 -0.017 -2.136 0.461 0.00 0.00 -0.299 N ATOM 10 H LIG 1 -0.463 -2.054 -0.446 0.00 0.00 +0.150 HD ATOM 11 O LIG 1 -0.240 -1.441 2.628 0.00 0.00 -0.274 OA BRANCH 8 14 ATOM 12 C LIG 1 -2.970 -0.719 -0.797 0.00 0.00 +0.237 C ATOM 13 N LIG 1 -2.706 -1.825 -0.022 0.00 0.00 -0.288 N ATOM 14 C LIG 1 -2.285 -1.868 1.384 0.00 0.00 +0.162 C ATOM 15 C LIG 1 -2.733 -3.259 1.837 0.00 0.00 +0.033 C ATOM 16 C LIG 1 -2.584 -4.115 0.583 0.00 0.00 +0.021 C ATOM 17 C LIG 1 -2.950 -3.163 -0.546 0.00 0.00 +0.109 C ATOM 18 O LIG 1 -3.139 -0.833 -2.017 0.00 0.00 -0.274 OA BRANCH 12 19 ATOM 19 C LIG 1 -3.122 0.667 -0.122 0.00 0.00 +0.162 C BRANCH 19 20 ATOM 20 N LIG 1 -2.488 1.596 -1.058 0.00 0.00 -0.302 N ATOM 21 H LIG 1 -2.467 1.309 -2.033 0.00 0.00 +0.150 HD ATOM 22 C LIG 1 -1.880 2.768 -0.676 0.00 0.00 +0.230 C ATOM 23 O LIG 1 -1.891 3.179 0.485 0.00 0.00 -0.274 OA BRANCH 22 24 ATOM 24 C LIG 1 -1.211 3.534 -1.840 0.00 0.00 +0.135 C ATOM 25 C LIG 1 0.088 2.853 -2.247 0.00 0.00 +0.033 C BRANCH 24 26 ATOM 26 N LIG 1 -0.952 4.934 -1.458 0.00 0.00 -0.320 NA ATOM 27 H LIG 1 -1.817 5.333 -1.090 0.00 0.00 +0.119 HD ATOM 28 H LIG 1 -0.325 4.933 -0.646 0.00 0.00 +0.119 HD ENDBRANCH 24 26 ENDBRANCH 22 24 ENDBRANCH 19 20 BRANCH 19 30 ATOM 29 C LIG 1 -4.890 2.401 0.586 0.00 0.00 +0.009 C ATOM 30 C LIG 1 -4.633 0.979 0.073 0.00 0.00 +0.012 C ATOM 31 C LIG 1 -5.314 -0.006 1.032 0.00 0.00 +0.009 C ENDBRANCH 19 30 ENDBRANCH 12 19 ENDBRANCH 8 14 ENDBRANCH 1 9 BRANCH 1 32 ATOM 32 C LIG 1 2.032 -0.835 -0.007 0.00 0.00 +0.238 C ATOM 33 N LIG 1 3.313 -0.599 0.446 0.00 0.00 -0.302 N ATOM 34 H LIG 1 3.848 -1.380 0.820 0.00 0.00 +0.150 HD ATOM 35 O LIG 1 1.424 -0.065 -0.750 0.00 0.00 -0.273 OA BRANCH 33 36 ATOM 36 C LIG 1 4.099 0.568 0.046 0.00 0.00 +0.163 C BRANCH 36 37 ATOM 37 C LIG 1 5.450 0.041 -0.458 0.00 0.00 +0.231 C ATOM 38 O LIG 1 5.905 -1.057 -0.143 0.00 0.00 -0.274 OA ATOM 39 N LIG 1 6.170 0.891 -1.248 0.00 0.00 -0.328 N ATOM 40 H LIG 1 7.017 0.511 -1.654 0.00 0.00 +0.145 HD ATOM 41 H LIG 1 5.720 1.647 -1.750 0.00 0.00 +0.145 HD ENDBRANCH 36 37 BRANCH 36 42 ATOM 42 C LIG 1 4.337 1.530 1.223 0.00 0.00 +0.067 C BRANCH 42 43 ATOM 43 C LIG 1 3.163 2.454 1.446 0.00 0.00 -0.045 A ATOM 44 C LIG 1 1.996 1.982 2.066 0.00 0.00 +0.007 A ATOM 45 C LIG 1 0.870 2.796 2.159 0.00 0.00 +0.045 A ATOM 46 C LIG 1 0.920 4.090 1.653 0.00 0.00 +0.117 A ATOM 47 C LIG 1 2.084 4.599 1.094 0.00 0.00 +0.045 A ATOM 48 C LIG 1 3.204 3.776 0.981 0.00 0.00 +0.007 A BRANCH 46 49 ATOM 49 O LIG 1 -0.199 4.871 1.641 0.00 0.00 -0.507 OA ATOM 50 H LIG 1 -0.964 4.258 1.548 0.00 0.00 +0.292 HD ENDBRANCH 46 49 ENDBRANCH 42 43 ENDBRANCH 36 42 ENDBRANCH 33 36 ENDBRANCH 1 32 TORSDOF 14