REMARK Name = BDB037772 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.401 1.909 0.643 0.00 0.00 -0.255 N ATOM 2 C LIG 1 -1.323 1.021 0.065 0.00 0.00 +0.130 A ATOM 3 C LIG 1 -0.971 -0.176 -0.533 0.00 0.00 +0.030 A ATOM 4 C LIG 1 -2.168 -0.759 -1.032 0.00 0.00 +0.153 A ATOM 5 N LIG 1 -3.207 0.033 -0.726 0.00 0.00 -0.164 NA ATOM 6 C LIG 1 0.443 -0.652 -0.603 0.00 0.00 +0.057 C ATOM 7 C LIG 1 1.334 0.610 -0.661 0.00 0.00 +0.168 C ATOM 8 N LIG 1 -2.696 1.075 -0.032 0.00 0.00 -0.246 N ATOM 9 C LIG 1 0.970 1.601 0.478 0.00 0.00 +0.242 C ATOM 10 O LIG 1 1.857 2.140 1.149 0.00 0.00 -0.273 OA ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -2.290 -2.042 -1.768 0.00 0.00 +0.268 C ATOM 12 N LIG 1 -3.538 -2.473 -2.202 0.00 0.00 -0.277 N ATOM 13 C LIG 1 -4.816 -1.841 -2.047 0.00 0.00 +0.081 C ATOM 14 C LIG 1 -5.880 -2.844 -2.411 0.00 0.00 +0.014 C ATOM 15 C LIG 1 -5.177 -4.129 -2.769 0.00 0.00 +0.043 C ATOM 16 C LIG 1 -5.816 -2.276 -1.019 0.00 0.00 +0.028 C ATOM 17 C LIG 1 -3.683 -3.749 -2.921 0.00 0.00 +0.180 C ATOM 18 O LIG 1 -1.296 -2.738 -1.990 0.00 0.00 -0.268 OA BRANCH 17 19 ATOM 19 C LIG 1 -3.325 -3.605 -4.349 0.00 0.00 +0.085 C ATOM 20 N LIG 1 -3.072 -3.501 -5.478 0.00 0.00 -0.195 NA ENDBRANCH 17 19 ENDBRANCH 4 11 BRANCH 8 21 ATOM 21 C LIG 1 -3.643 2.099 0.393 0.00 0.00 +0.114 C ATOM 22 C LIG 1 -5.013 1.540 0.804 0.00 0.00 +0.055 C ATOM 23 C LIG 1 -5.902 2.664 1.329 0.00 0.00 +0.162 C ATOM 24 O LIG 1 -5.526 3.947 0.824 0.00 0.00 -0.380 OA ATOM 25 C LIG 1 -5.149 3.902 -0.548 0.00 0.00 +0.162 C ATOM 26 C LIG 1 -3.818 3.174 -0.690 0.00 0.00 +0.055 C ENDBRANCH 8 21 BRANCH 7 27 ATOM 27 N LIG 1 2.767 0.315 -0.627 0.00 0.00 -0.298 N ATOM 28 H LIG 1 3.137 -0.079 0.235 0.00 0.00 +0.150 HD ATOM 29 C LIG 1 3.657 1.106 -1.313 0.00 0.00 +0.261 C ATOM 30 O LIG 1 3.391 1.893 -2.206 0.00 0.00 -0.269 OA BRANCH 29 31 ATOM 31 C LIG 1 5.083 0.951 -0.862 0.00 0.00 +0.130 C ATOM 32 C LIG 1 6.165 1.767 -1.468 0.00 0.00 +0.160 C ATOM 33 C LIG 1 7.351 1.259 -0.703 0.00 0.00 +0.245 C ATOM 34 O LIG 1 8.495 1.653 -0.869 0.00 0.00 -0.273 OA ATOM 35 N LIG 1 6.829 0.291 0.176 0.00 0.00 -0.160 N ATOM 36 N LIG 1 5.458 0.121 0.064 0.00 0.00 -0.172 NA BRANCH 35 37 ATOM 37 C LIG 1 7.532 -0.494 1.124 0.00 0.00 +0.060 A ATOM 38 C LIG 1 6.842 -1.420 1.925 0.00 0.00 +0.025 A ATOM 39 C LIG 1 7.514 -2.206 2.867 0.00 0.00 +0.002 A ATOM 40 C LIG 1 8.890 -2.080 3.025 0.00 0.00 +0.000 A ATOM 41 C LIG 1 9.591 -1.169 2.241 0.00 0.00 +0.002 A ATOM 42 C LIG 1 8.918 -0.383 1.299 0.00 0.00 +0.025 A ENDBRANCH 35 37 ENDBRANCH 29 31 ENDBRANCH 7 27 BRANCH 6 43 ATOM 43 C LIG 1 0.898 -1.628 0.475 0.00 0.00 -0.001 C ATOM 44 C LIG 1 0.681 -1.386 1.952 0.00 0.00 +0.004 C ATOM 45 C LIG 1 -0.049 -2.506 1.263 0.00 0.00 +0.004 C ENDBRANCH 6 43 BRANCH 1 47 ATOM 46 C LIG 1 -0.967 2.528 2.970 0.00 0.00 +0.025 C ATOM 47 C LIG 1 -0.702 3.010 1.551 0.00 0.00 +0.112 C ENDBRANCH 1 47 TORSDOF 8