REMARK Name = BDB048877 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.006 1.380 1.029 0.00 0.00 +0.161 C ENDROOT BRANCH 1 2 ATOM 2 N LIG 1 -1.060 0.479 1.498 0.00 0.00 -0.302 N ATOM 3 H LIG 1 -0.847 -0.018 2.357 0.00 0.00 +0.150 HD ATOM 4 C LIG 1 -1.909 -0.148 0.611 0.00 0.00 +0.234 C ATOM 5 O LIG 1 -1.976 0.153 -0.583 0.00 0.00 -0.274 OA BRANCH 4 6 ATOM 6 C LIG 1 -2.774 -1.272 1.230 0.00 0.00 +0.159 C BRANCH 6 7 ATOM 7 N LIG 1 -3.828 -1.602 0.281 0.00 0.00 -0.302 N ATOM 8 H LIG 1 -3.524 -1.899 -0.643 0.00 0.00 +0.150 HD ATOM 9 C LIG 1 -4.955 -0.794 0.222 0.00 0.00 +0.242 C ATOM 10 O LIG 1 -5.343 -0.096 1.151 0.00 0.00 -0.273 OA BRANCH 9 11 ATOM 11 C LIG 1 -5.641 -0.874 -1.156 0.00 0.00 +0.200 C BRANCH 11 12 ATOM 12 O LIG 1 -4.660 -0.990 -2.187 0.00 0.00 -0.383 OA ATOM 13 H LIG 1 -4.025 -0.256 -2.062 0.00 0.00 +0.210 HD ENDBRANCH 11 12 BRANCH 11 14 ATOM 14 C LIG 1 -6.611 0.287 -1.411 0.00 0.00 +0.044 C BRANCH 14 15 ATOM 15 C LIG 1 -5.951 1.673 -1.593 0.00 0.00 -0.014 C ATOM 16 C LIG 1 -5.570 1.945 -3.051 0.00 0.00 +0.007 C ATOM 17 C LIG 1 -6.907 2.772 -1.117 0.00 0.00 +0.007 C ENDBRANCH 14 15 ENDBRANCH 11 14 ENDBRANCH 9 11 ENDBRANCH 6 7 BRANCH 6 18 ATOM 18 C LIG 1 -1.953 -2.501 1.652 0.00 0.00 +0.034 C BRANCH 18 19 ATOM 19 C LIG 1 -0.873 -3.025 0.679 0.00 0.00 -0.015 C ATOM 20 C LIG 1 -0.085 -4.150 1.361 0.00 0.00 +0.007 C ATOM 21 C LIG 1 -1.430 -3.532 -0.649 0.00 0.00 +0.007 C ENDBRANCH 18 19 ENDBRANCH 6 18 ENDBRANCH 4 6 ENDBRANCH 1 2 BRANCH 1 24 ATOM 22 N LIG 1 2.187 0.906 -0.006 0.00 0.00 -0.301 N ATOM 23 H LIG 1 2.102 1.838 -0.396 0.00 0.00 +0.150 HD ATOM 24 C LIG 1 1.287 0.536 0.968 0.00 0.00 +0.234 C ATOM 25 O LIG 1 1.494 -0.396 1.745 0.00 0.00 -0.274 OA BRANCH 22 26 ATOM 26 C LIG 1 3.522 0.292 -0.069 0.00 0.00 +0.186 C BRANCH 26 27 ATOM 27 C LIG 1 4.463 1.143 0.786 0.00 0.00 +0.328 C ATOM 28 O LIG 1 4.438 2.370 0.815 0.00 0.00 -0.249 OA BRANCH 27 30 ATOM 29 C LIG 1 6.259 1.087 2.288 0.00 0.00 +0.280 C ATOM 30 O LIG 1 5.331 0.361 1.484 0.00 0.00 -0.467 OA ENDBRANCH 27 30 ENDBRANCH 26 27 BRANCH 26 31 ATOM 31 C LIG 1 4.021 0.261 -1.519 0.00 0.00 +0.069 C BRANCH 31 32 ATOM 32 C LIG 1 5.304 -0.512 -1.699 0.00 0.00 -0.045 A ATOM 33 C LIG 1 6.521 0.160 -1.880 0.00 0.00 +0.004 A ATOM 34 C LIG 1 7.709 -0.557 -2.027 0.00 0.00 +0.000 A ATOM 35 C LIG 1 7.692 -1.950 -1.994 0.00 0.00 +0.000 A ATOM 36 C LIG 1 6.488 -2.628 -1.815 0.00 0.00 +0.000 A ATOM 37 C LIG 1 5.299 -1.913 -1.667 0.00 0.00 +0.004 A ENDBRANCH 31 32 ENDBRANCH 26 31 ENDBRANCH 22 26 ENDBRANCH 1 24 BRANCH 1 38 ATOM 38 C LIG 1 0.101 2.619 1.945 0.00 0.00 +0.012 C ATOM 39 C LIG 1 0.637 2.306 3.345 0.00 0.00 +0.009 C ATOM 40 C LIG 1 0.930 3.736 1.309 0.00 0.00 +0.009 C ENDBRANCH 1 38 TORSDOF 16