REMARK Name = BDB059486 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.629 0.851 1.571 0.00 0.00 +0.247 C ATOM 2 N LIG 1 5.424 0.681 0.893 0.00 0.00 -0.293 N ATOM 3 C LIG 1 4.259 1.336 1.478 0.00 0.00 +0.143 C ATOM 4 C LIG 1 2.930 0.916 0.891 0.00 0.00 -0.027 A ATOM 5 C LIG 1 2.847 0.013 -0.182 0.00 0.00 -0.040 A ATOM 6 C LIG 1 1.592 -0.357 -0.688 0.00 0.00 +0.017 A ATOM 7 C LIG 1 0.417 0.179 -0.144 0.00 0.00 +0.037 A ATOM 8 C LIG 1 0.503 1.100 0.904 0.00 0.00 +0.013 A ATOM 9 C LIG 1 4.100 -0.602 -0.747 0.00 0.00 +0.054 C ATOM 10 C LIG 1 1.750 1.460 1.420 0.00 0.00 +0.006 A ATOM 11 C LIG 1 5.317 0.288 -0.513 0.00 0.00 +0.113 C ATOM 12 O LIG 1 6.730 1.385 2.670 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 16 ATOM 13 C LIG 1 10.212 -0.609 -0.215 0.00 0.00 +0.120 A ATOM 14 C LIG 1 9.424 -1.450 0.581 0.00 0.00 +0.046 A ATOM 15 C LIG 1 8.248 -0.979 1.167 0.00 0.00 +0.016 A ATOM 16 C LIG 1 7.862 0.343 0.947 0.00 0.00 +0.037 A ATOM 17 C LIG 1 8.642 1.199 0.165 0.00 0.00 +0.016 A ATOM 18 C LIG 1 9.818 0.718 -0.420 0.00 0.00 +0.046 A BRANCH 13 20 ATOM 19 C LIG 1 12.214 -0.375 -1.477 0.00 0.00 +0.277 C ATOM 20 O LIG 1 11.333 -1.201 -0.727 0.00 0.00 -0.495 OA ENDBRANCH 13 20 ENDBRANCH 1 16 BRANCH 7 21 ATOM 21 C LIG 1 -0.890 -0.240 -0.727 0.00 0.00 +0.244 C ATOM 22 N LIG 1 -1.986 -0.128 0.101 0.00 0.00 -0.309 N ATOM 23 H LIG 1 -1.832 -0.081 1.101 0.00 0.00 +0.149 HD ATOM 24 O LIG 1 -0.946 -0.688 -1.867 0.00 0.00 -0.270 OA BRANCH 22 25 ATOM 25 C LIG 1 -3.281 -0.676 -0.280 0.00 0.00 +0.137 C BRANCH 25 26 ATOM 26 C LIG 1 -4.383 -0.128 0.638 0.00 0.00 +0.145 C BRANCH 26 27 ATOM 27 O LIG 1 -3.995 -0.370 2.006 0.00 0.00 -0.389 OA ATOM 28 H LIG 1 -4.693 0.009 2.571 0.00 0.00 +0.210 HD ENDBRANCH 26 27 BRANCH 26 29 ATOM 29 C LIG 1 -5.752 -0.790 0.371 0.00 0.00 +0.117 C BRANCH 29 30 ATOM 30 N LIG 1 -6.283 -0.633 -0.992 0.00 0.00 -0.295 NA ATOM 31 C LIG 1 -7.524 -1.413 -1.175 0.00 0.00 +0.120 C ATOM 32 C LIG 1 -8.760 -0.791 -0.559 0.00 0.00 -0.030 A ATOM 33 C LIG 1 -8.825 0.592 -0.311 0.00 0.00 -0.042 A ATOM 34 C LIG 1 -9.993 1.146 0.227 0.00 0.00 +0.004 A ATOM 35 C LIG 1 -11.097 0.339 0.499 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -11.042 -1.028 0.235 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -7.623 1.467 -0.565 0.00 0.00 +0.051 C ATOM 38 C LIG 1 -9.882 -1.590 -0.297 0.00 0.00 +0.005 A ATOM 39 C LIG 1 -6.540 0.761 -1.393 0.00 0.00 +0.089 C ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 25 26 ENDBRANCH 22 25 ENDBRANCH 7 21 TORSDOF 8