REMARK Name = BDB006548 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.399 -0.527 -2.836 0.00 0.00 +0.046 C ATOM 2 C LIG 1 -0.984 0.242 -1.702 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -0.500 0.281 -0.358 0.00 0.00 +0.004 A ATOM 4 C LIG 1 -1.350 1.110 0.376 0.00 0.00 +0.050 A ATOM 5 C LIG 1 -1.156 1.341 1.750 0.00 0.00 +0.027 A ATOM 6 C LIG 1 -0.070 0.726 2.380 0.00 0.00 +0.015 A ATOM 7 C LIG 1 0.806 -0.092 1.666 0.00 0.00 +0.037 A ATOM 8 N LIG 1 -2.322 1.569 -0.497 0.00 0.00 -0.339 N ATOM 9 C LIG 1 0.591 -0.332 0.301 0.00 0.00 +0.023 A ATOM 10 C LIG 1 -2.105 1.057 -1.762 0.00 0.00 +0.020 A ATOM 11 C LIG 1 -2.990 1.359 -2.925 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 1.944 -0.716 2.399 0.00 0.00 +0.245 C ATOM 13 N LIG 1 3.065 -1.006 1.653 0.00 0.00 -0.305 N ATOM 14 H LIG 1 3.149 -0.614 0.725 0.00 0.00 +0.150 HD ATOM 15 O LIG 1 1.866 -0.913 3.607 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 4.272 -1.538 2.263 0.00 0.00 +0.100 C ATOM 17 C LIG 1 4.112 -3.017 2.632 0.00 0.00 +0.033 C BRANCH 16 18 ATOM 18 C LIG 1 5.453 -1.304 1.337 0.00 0.00 -0.027 A ATOM 19 C LIG 1 6.412 -0.332 1.658 0.00 0.00 +0.009 A ATOM 20 C LIG 1 7.497 -0.079 0.809 0.00 0.00 +0.046 A ATOM 21 C LIG 1 7.640 -0.791 -0.379 0.00 0.00 +0.121 A ATOM 22 C LIG 1 6.680 -1.748 -0.714 0.00 0.00 +0.046 A ATOM 23 C LIG 1 5.596 -2.004 0.131 0.00 0.00 +0.009 A BRANCH 21 24 ATOM 24 O LIG 1 8.638 -0.645 -1.300 0.00 0.00 -0.489 OA BRANCH 24 25 ATOM 25 C LIG 1 9.764 0.180 -0.986 0.00 0.00 +0.167 C ATOM 26 C LIG 1 10.954 -0.391 -1.754 0.00 0.00 +0.051 C ATOM 27 C LIG 1 9.496 1.615 -1.432 0.00 0.00 +0.051 C ENDBRANCH 24 25 ENDBRANCH 21 24 ENDBRANCH 16 18 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 28 ATOM 28 C LIG 1 -3.395 2.498 -0.133 0.00 0.00 +0.157 C BRANCH 28 29 ATOM 29 C LIG 1 -4.750 1.836 -0.034 0.00 0.00 -0.028 A ATOM 30 C LIG 1 -4.939 0.638 0.668 0.00 0.00 +0.006 A ATOM 31 C LIG 1 -6.206 0.054 0.755 0.00 0.00 +0.009 A ATOM 32 C LIG 1 -7.321 0.656 0.155 0.00 0.00 -0.017 A ATOM 33 C LIG 1 -7.135 1.870 -0.522 0.00 0.00 +0.009 A ATOM 34 C LIG 1 -5.867 2.453 -0.614 0.00 0.00 +0.006 A BRANCH 32 35 ATOM 35 C LIG 1 -8.650 0.032 0.244 0.00 0.00 -0.001 A ATOM 36 C LIG 1 -9.303 -0.535 -0.870 0.00 0.00 +0.059 A ATOM 37 C LIG 1 -10.572 -1.120 -0.725 0.00 0.00 +0.019 A ATOM 38 C LIG 1 -11.200 -1.148 0.520 0.00 0.00 +0.001 A ATOM 39 C LIG 1 -10.566 -0.595 1.627 0.00 0.00 +0.001 A ATOM 40 C LIG 1 -9.304 -0.012 1.491 0.00 0.00 +0.010 A BRANCH 36 41 ATOM 41 C LIG 1 -8.698 -0.544 -2.174 0.00 0.00 +0.100 C ATOM 42 N LIG 1 -8.242 -0.554 -3.241 0.00 0.00 -0.191 NA ENDBRANCH 36 41 ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 8 28 TORSDOF 9