REMARK Name = BDB048211 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.078 0.793 -1.290 0.00 0.00 +0.002 A ATOM 2 C LIG 1 3.201 0.243 -0.596 0.00 0.00 -0.011 A ATOM 3 C LIG 1 3.063 -1.022 0.031 0.00 0.00 -0.017 A ATOM 4 C LIG 1 4.144 -1.601 0.715 0.00 0.00 +0.020 A ATOM 5 C LIG 1 5.378 -0.950 0.791 0.00 0.00 +0.023 A ATOM 6 C LIG 1 5.527 0.308 0.213 0.00 0.00 +0.012 A ATOM 7 C LIG 1 1.841 -1.700 -0.027 0.00 0.00 +0.012 A ATOM 8 C LIG 1 0.743 -1.147 -0.682 0.00 0.00 +0.046 A ATOM 9 C LIG 1 4.455 0.889 -0.474 0.00 0.00 +0.009 A ATOM 10 C LIG 1 0.845 0.099 -1.299 0.00 0.00 +0.124 A ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 6.480 -1.603 1.541 0.00 0.00 +0.193 C ATOM 12 O LIG 1 6.211 -2.274 2.534 0.00 0.00 -0.287 OA BRANCH 11 13 ATOM 13 C LIG 1 7.898 -1.460 1.122 0.00 0.00 +0.022 A ATOM 14 C LIG 1 8.887 -1.445 2.113 0.00 0.00 +0.012 A ATOM 15 C LIG 1 10.231 -1.320 1.758 0.00 0.00 +0.001 A ATOM 16 C LIG 1 10.591 -1.224 0.413 0.00 0.00 +0.000 A ATOM 17 C LIG 1 9.611 -1.261 -0.578 0.00 0.00 +0.001 A ATOM 18 C LIG 1 8.264 -1.385 -0.228 0.00 0.00 +0.012 A ENDBRANCH 11 13 ENDBRANCH 5 11 BRANCH 1 19 ATOM 19 C LIG 1 2.162 2.140 -1.991 0.00 0.00 +0.039 C BRANCH 19 21 ATOM 20 C LIG 1 1.870 4.632 -1.764 0.00 0.00 +0.004 C ATOM 21 C LIG 1 1.788 3.291 -1.054 0.00 0.00 +0.001 C ENDBRANCH 19 21 ENDBRANCH 1 19 BRANCH 10 22 ATOM 22 O LIG 1 -0.190 0.710 -1.963 0.00 0.00 -0.492 OA BRANCH 22 23 ATOM 23 C LIG 1 -1.526 0.330 -1.627 0.00 0.00 +0.231 C BRANCH 23 24 ATOM 24 C LIG 1 -2.058 -0.647 -2.673 0.00 0.00 +0.062 C BRANCH 24 25 ATOM 25 C LIG 1 -3.503 -1.065 -2.421 0.00 0.00 +0.125 C BRANCH 25 26 ATOM 26 N LIG 1 -3.670 -1.829 -1.197 0.00 0.00 -0.346 N ATOM 27 C LIG 1 -4.185 -1.356 -0.006 0.00 0.00 +0.053 A ATOM 28 C LIG 1 -4.125 -2.413 0.908 0.00 0.00 +0.000 A ATOM 29 C LIG 1 -4.566 -2.203 2.231 0.00 0.00 +0.013 A ATOM 30 C LIG 1 -5.066 -0.950 2.598 0.00 0.00 +0.046 A ATOM 31 C LIG 1 -5.145 0.078 1.665 0.00 0.00 +0.124 A ATOM 32 C LIG 1 -3.581 -3.534 0.225 0.00 0.00 +0.027 A ATOM 33 C LIG 1 -4.683 -0.092 0.357 0.00 0.00 +0.072 A ATOM 34 C LIG 1 -3.318 -3.150 -1.069 0.00 0.00 +0.087 A BRANCH 31 35 ATOM 35 O LIG 1 -5.629 1.278 2.105 0.00 0.00 -0.475 OA BRANCH 35 36 ATOM 36 C LIG 1 -6.858 1.718 1.506 0.00 0.00 +0.200 C ATOM 37 C LIG 1 -7.718 2.230 2.675 0.00 0.00 +0.067 C ATOM 38 C LIG 1 -6.532 2.925 0.610 0.00 0.00 +0.067 C BRANCH 36 39 ATOM 39 C LIG 1 -7.724 0.711 0.703 0.00 0.00 +0.348 C ATOM 40 O LIG 1 -7.953 0.741 -0.498 0.00 0.00 -0.247 OA BRANCH 39 41 ATOM 41 O LIG 1 -8.240 -0.282 1.458 0.00 0.00 -0.478 OA ATOM 42 H LIG 1 -8.694 -0.865 0.817 0.00 0.00 +0.295 HD ENDBRANCH 39 41 ENDBRANCH 36 39 ENDBRANCH 35 36 ENDBRANCH 31 35 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 10 22 TORSDOF 13