REMARK Name = BDB031148 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.563 -0.722 0.682 0.00 0.00 +0.129 A ATOM 2 N LIG 1 -0.784 -0.004 1.836 0.00 0.00 -0.346 N ATOM 3 H LIG 1 -1.621 -0.089 2.407 0.00 0.00 +0.167 HD ATOM 4 C LIG 1 0.230 0.893 1.982 0.00 0.00 +0.117 A ATOM 5 C LIG 1 1.088 0.668 0.924 0.00 0.00 +0.143 A ATOM 6 N LIG 1 0.567 -0.340 0.118 0.00 0.00 -0.226 NA ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 -3.670 -0.629 0.658 0.00 0.00 +0.237 C ATOM 8 N LIG 1 -2.784 -1.204 -0.234 0.00 0.00 -0.287 N ATOM 9 C LIG 1 -1.519 -1.784 0.223 0.00 0.00 +0.145 C ATOM 10 C LIG 1 -0.981 -2.549 -0.995 0.00 0.00 +0.063 C ATOM 11 C LIG 1 -2.248 -3.007 -1.691 0.00 0.00 +0.134 C ATOM 12 C LIG 1 -3.200 -1.825 -1.490 0.00 0.00 +0.140 C ATOM 13 O LIG 1 -3.430 -0.591 1.874 0.00 0.00 -0.274 OA BRANCH 11 14 ATOM 14 O LIG 1 -2.758 -4.166 -1.038 0.00 0.00 -0.390 OA ATOM 15 H LIG 1 -2.197 -4.922 -1.294 0.00 0.00 +0.210 HD ENDBRANCH 11 14 BRANCH 7 16 ATOM 16 C LIG 1 -4.934 0.075 0.091 0.00 0.00 +0.164 C BRANCH 16 19 ATOM 17 C LIG 1 -7.736 -1.453 2.148 0.00 0.00 +0.109 C ATOM 18 C LIG 1 -6.907 -1.163 0.925 0.00 0.00 +0.211 C ATOM 19 N LIG 1 -5.984 -0.157 1.093 0.00 0.00 -0.304 N ATOM 20 H LIG 1 -5.721 0.064 2.049 0.00 0.00 +0.149 HD ATOM 21 O LIG 1 -7.061 -1.778 -0.124 0.00 0.00 -0.276 OA ENDBRANCH 16 19 BRANCH 16 22 ATOM 22 C LIG 1 -4.713 1.598 -0.186 0.00 0.00 -0.011 C ATOM 23 C LIG 1 -6.037 2.218 -0.692 0.00 0.00 +0.013 C ATOM 24 C LIG 1 -4.264 2.376 1.069 0.00 0.00 +0.013 C ATOM 25 C LIG 1 -3.653 1.800 -1.288 0.00 0.00 +0.013 C ENDBRANCH 16 22 ENDBRANCH 7 16 ENDBRANCH 1 9 BRANCH 5 26 ATOM 26 C LIG 1 2.329 1.419 0.666 0.00 0.00 +0.266 C ATOM 27 N LIG 1 3.326 0.827 -0.120 0.00 0.00 -0.295 N ATOM 28 C LIG 1 3.285 -0.557 -0.566 0.00 0.00 +0.132 C ATOM 29 O LIG 1 2.473 2.544 1.142 0.00 0.00 -0.268 OA BRANCH 27 30 ATOM 30 C LIG 1 4.472 1.637 -0.529 0.00 0.00 +0.143 C BRANCH 30 31 ATOM 31 C LIG 1 5.732 1.319 0.259 0.00 0.00 -0.022 A ATOM 32 C LIG 1 6.829 0.580 -0.270 0.00 0.00 -0.013 A ATOM 33 C LIG 1 7.949 0.333 0.570 0.00 0.00 -0.018 A ATOM 34 C LIG 1 9.048 -0.399 0.089 0.00 0.00 +0.008 A ATOM 35 C LIG 1 9.070 -0.897 -1.215 0.00 0.00 +0.001 A ATOM 36 C LIG 1 7.989 -0.667 -2.054 0.00 0.00 +0.001 A ATOM 37 C LIG 1 7.963 0.816 1.883 0.00 0.00 +0.008 A ATOM 38 C LIG 1 6.892 1.540 2.390 0.00 0.00 +0.001 A ATOM 39 C LIG 1 6.888 0.063 -1.589 0.00 0.00 +0.009 A ATOM 40 C LIG 1 5.786 1.786 1.587 0.00 0.00 +0.006 A ENDBRANCH 30 31 ENDBRANCH 27 30 ENDBRANCH 5 26 TORSDOF 8