REMARK Name = BDB057467 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.041 1.516 2.760 0.00 0.00 +0.068 C ENDROOT BRANCH 1 5 ATOM 2 C LIG 1 -0.618 1.172 0.466 0.00 0.00 +0.121 A ATOM 3 C LIG 1 -0.278 2.381 1.075 0.00 0.00 +0.046 A ATOM 4 C LIG 1 0.909 2.490 1.810 0.00 0.00 +0.007 A ATOM 5 C LIG 1 1.769 1.391 1.952 0.00 0.00 -0.045 A ATOM 6 C LIG 1 1.429 0.184 1.330 0.00 0.00 +0.007 A ATOM 7 C LIG 1 0.242 0.078 0.599 0.00 0.00 +0.046 A BRANCH 2 8 ATOM 8 O LIG 1 -1.743 0.915 -0.266 0.00 0.00 -0.492 OA BRANCH 8 9 ATOM 9 C LIG 1 -2.613 2.000 -0.603 0.00 0.00 +0.235 C BRANCH 9 10 ATOM 10 C LIG 1 -3.662 2.258 0.481 0.00 0.00 +0.100 C BRANCH 10 13 ATOM 11 C LIG 1 -4.170 -0.117 2.846 0.00 0.00 +0.088 C ATOM 12 C LIG 1 -4.836 0.215 1.577 0.00 0.00 +0.127 A ATOM 13 C LIG 1 -4.656 1.159 0.588 0.00 0.00 +0.087 A ATOM 14 N LIG 1 -5.591 0.969 -0.407 0.00 0.00 -0.200 NA ATOM 15 C LIG 1 -6.295 -0.070 -0.001 0.00 0.00 +0.290 A ATOM 16 O LIG 1 -5.896 -0.566 1.212 0.00 0.00 -0.429 OA BRANCH 15 17 ATOM 17 N LIG 1 -7.308 -0.692 -0.638 0.00 0.00 -0.285 N ATOM 18 C LIG 1 -8.055 -1.779 -0.009 0.00 0.00 +0.109 C ATOM 19 C LIG 1 -9.517 -1.737 -0.445 0.00 0.00 +0.019 C ATOM 20 C LIG 1 -9.683 -1.797 -1.964 0.00 0.00 +0.003 C ATOM 21 C LIG 1 -8.469 -1.246 -2.722 0.00 0.00 +0.019 C ATOM 22 C LIG 1 -7.747 -0.159 -1.924 0.00 0.00 +0.109 C ENDBRANCH 15 17 ENDBRANCH 10 13 ENDBRANCH 9 10 ENDBRANCH 8 9 ENDBRANCH 2 8 ENDBRANCH 1 5 BRANCH 1 23 ATOM 23 CA LIG 1 4.231 2.035 1.933 0.00 0.00 +0.184 C BRANCH 23 24 ATOM 24 C LIG 1 5.356 2.494 2.886 0.00 0.00 +0.326 C ATOM 25 O LIG 1 5.205 2.847 4.056 0.00 0.00 -0.249 OA BRANCH 24 26 ATOM 26 OXT LIG 1 6.574 2.513 2.284 0.00 0.00 -0.479 OA ATOM 27 HXT LIG 1 6.537 2.074 1.399 0.00 0.00 +0.295 HD ENDBRANCH 24 26 ENDBRANCH 23 24 BRANCH 23 28 ATOM 28 N LIG 1 4.728 0.956 1.045 0.00 0.00 -0.331 N ATOM 29 H LIG 1 5.315 0.276 1.540 0.00 0.00 +0.147 HD BRANCH 28 30 ATOM 30 C LIG 1 5.102 1.122 -0.296 0.00 0.00 +0.039 A ATOM 31 C LIG 1 6.020 0.222 -0.899 0.00 0.00 +0.043 A ATOM 32 C LIG 1 6.470 0.418 -2.219 0.00 0.00 +0.013 A ATOM 33 C LIG 1 5.960 1.465 -2.978 0.00 0.00 +0.001 A ATOM 34 C LIG 1 4.983 2.298 -2.438 0.00 0.00 +0.002 A ATOM 35 C LIG 1 4.549 2.119 -1.120 0.00 0.00 +0.023 A BRANCH 31 36 ATOM 36 C LIG 1 6.591 -0.894 -0.091 0.00 0.00 +0.195 C ATOM 37 O LIG 1 6.836 -0.688 1.096 0.00 0.00 -0.287 OA BRANCH 36 38 ATOM 38 C LIG 1 6.819 -2.252 -0.652 0.00 0.00 +0.022 A ATOM 39 C LIG 1 7.768 -3.077 -0.034 0.00 0.00 +0.012 A ATOM 40 C LIG 1 7.989 -4.373 -0.500 0.00 0.00 +0.001 A ATOM 41 C LIG 1 7.247 -4.858 -1.577 0.00 0.00 +0.000 A ATOM 42 C LIG 1 6.286 -4.050 -2.185 0.00 0.00 +0.001 A ATOM 43 C LIG 1 6.066 -2.751 -1.722 0.00 0.00 +0.012 A ENDBRANCH 36 38 ENDBRANCH 31 36 ENDBRANCH 28 30 ENDBRANCH 23 28 ENDBRANCH 1 23 TORSDOF 13