REMARK Name = BDB006341 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.938 -1.486 0.307 0.00 0.00 +0.037 A ATOM 2 C LIG 1 -2.731 -0.563 -0.728 0.00 0.00 +0.023 A ATOM 3 C LIG 1 -1.559 -0.639 -1.515 0.00 0.00 +0.004 A ATOM 4 C LIG 1 -1.061 0.126 -2.616 0.00 0.00 -0.022 A ATOM 5 C LIG 1 0.156 -0.426 -2.987 0.00 0.00 +0.020 A ATOM 6 N LIG 1 0.405 -1.499 -2.152 0.00 0.00 -0.339 N ATOM 7 C LIG 1 1.088 -0.013 -4.079 0.00 0.00 +0.064 C ATOM 8 C LIG 1 -1.721 1.299 -3.254 0.00 0.00 +0.046 C ATOM 9 C LIG 1 -0.633 -1.649 -1.246 0.00 0.00 +0.050 A ATOM 10 C LIG 1 -0.836 -2.587 -0.220 0.00 0.00 +0.027 A ATOM 11 C LIG 1 -2.001 -2.492 0.545 0.00 0.00 +0.015 A ENDROOT BRANCH 1 14 ATOM 12 N LIG 1 -4.748 -0.219 1.334 0.00 0.00 -0.305 N ATOM 13 H LIG 1 -4.270 0.612 1.019 0.00 0.00 +0.150 HD ATOM 14 C LIG 1 -4.161 -1.452 1.156 0.00 0.00 +0.245 C ATOM 15 O LIG 1 -4.579 -2.483 1.672 0.00 0.00 -0.270 OA BRANCH 12 16 ATOM 16 C LIG 1 -5.926 -0.033 2.167 0.00 0.00 +0.103 C BRANCH 16 17 ATOM 17 C LIG 1 -5.690 1.155 3.088 0.00 0.00 -0.027 A ATOM 18 C LIG 1 -5.831 2.482 2.654 0.00 0.00 +0.005 A ATOM 19 C LIG 1 -5.585 3.546 3.524 0.00 0.00 +0.000 A ATOM 20 C LIG 1 -5.185 3.300 4.835 0.00 0.00 +0.000 A ATOM 21 C LIG 1 -5.024 1.990 5.277 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -5.270 0.925 4.409 0.00 0.00 +0.005 A ENDBRANCH 16 17 BRANCH 16 24 ATOM 23 C LIG 1 -7.596 -1.184 0.617 0.00 0.00 +0.006 C ATOM 24 C LIG 1 -7.194 0.116 1.306 0.00 0.00 +0.024 C ENDBRANCH 16 24 ENDBRANCH 12 16 ENDBRANCH 1 14 BRANCH 6 25 ATOM 25 C LIG 1 1.565 -2.388 -2.240 0.00 0.00 +0.157 C BRANCH 25 26 ATOM 26 C LIG 1 2.826 -1.794 -1.653 0.00 0.00 -0.028 A ATOM 27 C LIG 1 4.050 -2.007 -2.305 0.00 0.00 +0.006 A ATOM 28 C LIG 1 5.238 -1.493 -1.780 0.00 0.00 +0.009 A ATOM 29 C LIG 1 5.238 -0.754 -0.588 0.00 0.00 -0.017 A ATOM 30 C LIG 1 4.020 -0.571 0.082 0.00 0.00 +0.009 A ATOM 31 C LIG 1 2.830 -1.089 -0.441 0.00 0.00 +0.006 A BRANCH 29 32 ATOM 32 C LIG 1 6.485 -0.174 -0.064 0.00 0.00 -0.007 A ATOM 33 C LIG 1 7.192 0.863 -0.721 0.00 0.00 +0.028 A ATOM 34 C LIG 1 8.418 1.301 -0.182 0.00 0.00 +0.012 A ATOM 35 C LIG 1 8.929 0.754 0.994 0.00 0.00 +0.001 A ATOM 36 C LIG 1 8.226 -0.245 1.653 0.00 0.00 +0.001 A ATOM 37 C LIG 1 7.018 -0.706 1.129 0.00 0.00 +0.009 A BRANCH 33 38 ATOM 38 C LIG 1 6.721 1.527 -1.939 0.00 0.00 +0.180 A ATOM 39 N LIG 1 5.414 1.784 -2.258 0.00 0.00 -0.239 N ATOM 40 H LIG 1 4.569 1.567 -1.745 0.00 0.00 +0.192 HD ATOM 41 N LIG 1 5.331 2.426 -3.430 0.00 0.00 -0.046 NA ATOM 42 N LIG 1 6.586 2.578 -3.825 0.00 0.00 -0.023 NA ATOM 43 N LIG 1 7.459 2.047 -2.904 0.00 0.00 -0.108 NA ENDBRANCH 33 38 ENDBRANCH 29 32 ENDBRANCH 25 26 ENDBRANCH 6 25 TORSDOF 8