REMARK Name = BDB010749 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.564 -0.054 -1.373 0.00 0.00 +0.239 C ATOM 2 N LIG 1 -0.801 -0.189 -1.108 0.00 0.00 -0.294 N ATOM 3 C LIG 1 -1.666 0.951 -0.820 0.00 0.00 +0.161 C ATOM 4 C LIG 1 -3.064 0.564 -0.362 0.00 0.00 +0.039 A ATOM 5 N LIG 1 -3.868 1.595 0.099 0.00 0.00 -0.356 N ATOM 6 H LIG 1 -3.459 2.513 0.228 0.00 0.00 +0.166 HD ATOM 7 C LIG 1 -5.144 1.359 0.622 0.00 0.00 +0.050 A ATOM 8 C LIG 1 -5.667 0.063 0.617 0.00 0.00 +0.038 A ATOM 9 C LIG 1 -6.942 -0.202 1.095 0.00 0.00 +0.052 A ATOM 10 C LIG 1 -7.425 -1.589 1.062 0.00 0.00 +0.273 A ATOM 11 N LIG 1 -6.554 -2.522 0.549 0.00 0.00 -0.242 N ATOM 12 H LIG 1 -6.868 -3.487 0.520 0.00 0.00 +0.192 HD ATOM 13 N LIG 1 -5.296 -2.279 0.077 0.00 0.00 -0.171 NA ATOM 14 O LIG 1 -8.543 -1.881 1.471 0.00 0.00 -0.266 OA ATOM 15 C LIG 1 -7.732 0.840 1.586 0.00 0.00 +0.014 A ATOM 16 C LIG 1 -7.229 2.143 1.587 0.00 0.00 +0.003 A ATOM 17 C LIG 1 -4.859 -1.054 0.101 0.00 0.00 +0.099 A ATOM 18 C LIG 1 -5.941 2.402 1.102 0.00 0.00 +0.026 A ATOM 19 C LIG 1 -3.486 -0.718 -0.396 0.00 0.00 +0.003 A ATOM 20 C LIG 1 -2.638 -1.837 -0.918 0.00 0.00 +0.058 C ATOM 21 C LIG 1 -1.471 -1.319 -1.753 0.00 0.00 +0.113 C ATOM 22 O LIG 1 1.101 -0.796 -2.211 0.00 0.00 -0.273 OA ENDROOT BRANCH 1 24 ATOM 23 C LIG 1 1.208 2.415 -1.329 0.00 0.00 +0.041 C ATOM 24 C LIG 1 1.438 1.049 -0.665 0.00 0.00 +0.108 C ATOM 25 C LIG 1 1.217 1.150 0.852 0.00 0.00 +0.041 C BRANCH 24 26 ATOM 26 N LIG 1 2.845 0.682 -0.960 0.00 0.00 -0.268 N ATOM 27 H LIG 1 3.135 0.760 -1.926 0.00 0.00 +0.153 HD ATOM 28 C LIG 1 3.501 -0.353 -0.357 0.00 0.00 +0.401 C ATOM 29 O LIG 1 3.154 -0.925 0.663 0.00 0.00 -0.226 OA BRANCH 28 30 ATOM 30 O LIG 1 4.596 -0.650 -1.094 0.00 0.00 -0.446 OA BRANCH 30 31 ATOM 31 C LIG 1 5.398 -1.730 -0.605 0.00 0.00 +0.269 C BRANCH 31 32 ATOM 32 C LIG 1 6.571 -1.181 0.165 0.00 0.00 -0.010 A ATOM 33 C LIG 1 7.727 -0.757 -0.503 0.00 0.00 +0.007 A ATOM 34 C LIG 1 8.806 -0.233 0.212 0.00 0.00 +0.000 A ATOM 35 C LIG 1 8.734 -0.121 1.600 0.00 0.00 +0.000 A ATOM 36 C LIG 1 7.583 -0.527 2.273 0.00 0.00 +0.000 A ATOM 37 C LIG 1 6.505 -1.051 1.559 0.00 0.00 +0.007 A ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 28 30 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 5