REMARK Name = BDB053456 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.367 1.035 -1.010 0.00 0.00 +0.237 C ATOM 2 N LIG 1 0.942 -0.053 -1.754 0.00 0.00 -0.288 N ATOM 3 C LIG 1 0.755 -1.441 -1.293 0.00 0.00 +0.162 C ATOM 4 C LIG 1 0.934 -2.269 -2.569 0.00 0.00 +0.033 C ATOM 5 C LIG 1 0.437 -1.339 -3.671 0.00 0.00 +0.021 C ATOM 6 C LIG 1 0.916 0.026 -3.207 0.00 0.00 +0.109 C ATOM 7 O LIG 1 1.613 2.106 -1.569 0.00 0.00 -0.274 OA ENDROOT BRANCH 3 8 ATOM 8 C LIG 1 -0.644 -1.707 -0.698 0.00 0.00 +0.234 C ATOM 9 N LIG 1 -1.595 -0.765 -1.019 0.00 0.00 -0.303 N ATOM 10 H LIG 1 -1.262 0.134 -1.339 0.00 0.00 +0.150 HD ATOM 11 O LIG 1 -0.897 -2.741 -0.086 0.00 0.00 -0.274 OA BRANCH 9 12 ATOM 12 C LIG 1 -2.966 -0.850 -0.548 0.00 0.00 +0.134 C BRANCH 12 13 ATOM 13 C LIG 1 -3.980 -0.615 -1.668 0.00 0.00 -0.023 A ATOM 14 C LIG 1 -3.677 0.090 -2.846 0.00 0.00 +0.006 A ATOM 15 C LIG 1 -4.649 0.291 -3.829 0.00 0.00 +0.000 A ATOM 16 C LIG 1 -5.938 -0.204 -3.652 0.00 0.00 +0.000 A ATOM 17 C LIG 1 -6.260 -0.900 -2.490 0.00 0.00 +0.000 A ATOM 18 C LIG 1 -5.291 -1.102 -1.506 0.00 0.00 +0.006 A ENDBRANCH 12 13 BRANCH 12 19 ATOM 19 C LIG 1 -3.140 0.057 0.665 0.00 0.00 -0.023 A ATOM 20 C LIG 1 -2.791 -0.432 1.937 0.00 0.00 +0.006 A ATOM 21 C LIG 1 -2.922 0.368 3.074 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -3.397 1.672 2.956 0.00 0.00 +0.000 A ATOM 23 C LIG 1 -3.733 2.179 1.703 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -3.598 1.381 0.564 0.00 0.00 +0.006 A ENDBRANCH 12 19 ENDBRANCH 9 12 ENDBRANCH 3 8 BRANCH 1 25 ATOM 25 C LIG 1 1.627 0.820 0.500 0.00 0.00 +0.162 C BRANCH 25 27 ATOM 26 C LIG 1 3.265 -0.650 1.650 0.00 0.00 +0.230 C ATOM 27 N LIG 1 2.947 0.197 0.612 0.00 0.00 -0.302 N ATOM 28 H LIG 1 3.692 0.581 0.042 0.00 0.00 +0.150 HD ATOM 29 O LIG 1 2.439 -1.017 2.483 0.00 0.00 -0.274 OA BRANCH 26 30 ATOM 30 C LIG 1 4.733 -1.129 1.648 0.00 0.00 +0.137 C ATOM 31 C LIG 1 4.893 -2.228 0.602 0.00 0.00 +0.034 C BRANCH 30 33 ATOM 32 C LIG 1 5.336 -0.600 3.942 0.00 0.00 +0.101 C ATOM 33 N LIG 1 5.115 -1.666 2.970 0.00 0.00 -0.309 NA ATOM 34 H LIG 1 4.333 -2.240 3.303 0.00 0.00 +0.122 HD ENDBRANCH 30 33 ENDBRANCH 26 30 ENDBRANCH 25 27 BRANCH 25 35 ATOM 35 C LIG 1 1.539 2.094 1.377 0.00 0.00 +0.012 C ATOM 36 C LIG 1 0.156 2.740 1.285 0.00 0.00 +0.009 C ATOM 37 C LIG 1 2.631 3.137 1.119 0.00 0.00 +0.009 C ENDBRANCH 25 35 ENDBRANCH 1 25 TORSDOF 9