REMARK Name = BDB044828 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.658 -1.025 -1.771 0.00 0.00 -0.041 A ATOM 2 C LIG 1 -4.263 -0.592 -3.050 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -2.895 -0.467 -3.327 0.00 0.00 +0.067 A ATOM 4 C LIG 1 -1.898 -0.751 -2.401 0.00 0.00 +0.027 A ATOM 5 C LIG 1 -0.673 -0.475 -3.085 0.00 0.00 +0.093 A ATOM 6 N LIG 1 -0.898 -0.094 -4.352 0.00 0.00 -0.173 NA ATOM 7 C LIG 1 -2.289 -1.222 -1.133 0.00 0.00 +0.012 A ATOM 8 N LIG 1 -2.234 -0.086 -4.460 0.00 0.00 -0.276 N ATOM 9 H LIG 1 -2.640 0.185 -5.348 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 -3.656 -1.353 -0.843 0.00 0.00 +0.005 A ENDROOT BRANCH 1 14 ATOM 11 O LIG 1 -8.526 -1.917 0.320 0.00 0.00 -0.274 OA ATOM 12 C LIG 1 -7.758 -1.018 0.616 0.00 0.00 +0.228 C ATOM 13 C LIG 1 -6.778 -0.358 -0.328 0.00 0.00 +0.081 C ATOM 14 C LIG 1 -6.118 -1.182 -1.414 0.00 0.00 +0.040 C ATOM 15 C LIG 1 -7.126 -0.106 -1.767 0.00 0.00 +0.031 C ATOM 16 C LIG 1 -6.107 0.689 0.517 0.00 0.00 -0.011 A ATOM 17 C LIG 1 -6.645 0.601 1.812 0.00 0.00 +0.038 A ATOM 18 C LIG 1 -6.258 1.417 2.855 0.00 0.00 +0.023 A ATOM 19 C LIG 1 -5.283 2.377 2.584 0.00 0.00 +0.002 A ATOM 20 C LIG 1 -4.733 2.495 1.296 0.00 0.00 +0.000 A ATOM 21 C LIG 1 -5.147 1.654 0.256 0.00 0.00 +0.006 A ATOM 22 N LIG 1 -7.609 -0.410 1.849 0.00 0.00 -0.284 N ATOM 23 H LIG 1 -8.156 -0.669 2.655 0.00 0.00 +0.155 HD ENDBRANCH 1 14 BRANCH 5 24 ATOM 24 C LIG 1 0.663 -0.591 -2.579 0.00 0.00 +0.031 C ATOM 25 C LIG 1 1.058 -0.396 -1.309 0.00 0.00 +0.010 C BRANCH 25 26 ATOM 26 C LIG 1 2.451 -0.514 -0.856 0.00 0.00 -0.025 A ATOM 27 C LIG 1 3.526 -0.033 -1.613 0.00 0.00 +0.008 A ATOM 28 C LIG 1 4.837 -0.135 -1.134 0.00 0.00 +0.005 A ATOM 29 C LIG 1 5.096 -0.708 0.117 0.00 0.00 -0.033 A ATOM 30 C LIG 1 4.018 -1.179 0.878 0.00 0.00 +0.005 A ATOM 31 C LIG 1 2.708 -1.075 0.399 0.00 0.00 +0.008 A BRANCH 29 32 ATOM 32 C LIG 1 6.517 -0.837 0.629 0.00 0.00 +0.119 C BRANCH 32 33 ATOM 33 N LIG 1 6.709 -0.234 1.961 0.00 0.00 -0.298 NA ATOM 34 C LIG 1 8.050 -0.528 2.488 0.00 0.00 +0.085 C ATOM 35 C LIG 1 8.973 0.533 1.907 0.00 0.00 +0.017 C ATOM 36 C LIG 1 8.061 1.695 1.542 0.00 0.00 +0.017 C ATOM 37 C LIG 1 6.661 1.236 1.924 0.00 0.00 +0.085 C ENDBRANCH 32 33 ENDBRANCH 29 32 ENDBRANCH 25 26 ENDBRANCH 5 24 TORSDOF 5