REMARK Name = BDB037640 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.164 -2.278 0.705 0.00 0.00 -0.255 N ATOM 2 C LIG 1 -0.779 -1.246 0.566 0.00 0.00 +0.130 A ATOM 3 C LIG 1 -0.474 0.019 0.093 0.00 0.00 +0.030 A ATOM 4 C LIG 1 -1.672 0.783 0.152 0.00 0.00 +0.153 A ATOM 5 N LIG 1 -2.664 0.018 0.636 0.00 0.00 -0.164 NA ATOM 6 C LIG 1 0.901 0.382 -0.377 0.00 0.00 +0.057 C ATOM 7 C LIG 1 1.887 -0.439 0.486 0.00 0.00 +0.167 C ATOM 8 N LIG 1 -2.135 -1.218 0.800 0.00 0.00 -0.246 N ATOM 9 C LIG 1 1.516 -1.942 0.473 0.00 0.00 +0.242 C ATOM 10 O LIG 1 2.403 -2.795 0.338 0.00 0.00 -0.273 OA ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -1.847 2.207 -0.221 0.00 0.00 +0.268 C ATOM 12 N LIG 1 -3.130 2.731 -0.374 0.00 0.00 -0.277 N ATOM 13 C LIG 1 -3.327 4.096 -0.791 0.00 0.00 +0.081 C ATOM 14 C LIG 1 -4.797 4.404 -0.752 0.00 0.00 +0.014 C ATOM 15 C LIG 1 -5.502 3.170 -0.259 0.00 0.00 +0.043 C ATOM 16 C LIG 1 -3.842 5.157 0.135 0.00 0.00 +0.028 C ATOM 17 C LIG 1 -4.435 2.041 -0.263 0.00 0.00 +0.180 C ATOM 18 O LIG 1 -0.866 2.929 -0.408 0.00 0.00 -0.268 OA BRANCH 17 19 ATOM 19 C LIG 1 -4.675 1.125 -1.399 0.00 0.00 +0.085 C ATOM 20 N LIG 1 -4.890 0.406 -2.287 0.00 0.00 -0.195 NA ENDBRANCH 17 19 ENDBRANCH 4 11 BRANCH 8 21 ATOM 21 C LIG 1 -3.045 -2.258 1.268 0.00 0.00 +0.114 C ATOM 22 C LIG 1 -3.156 -2.250 2.799 0.00 0.00 +0.055 C ATOM 23 C LIG 1 -4.464 -2.876 3.268 0.00 0.00 +0.162 C ATOM 24 O LIG 1 -4.863 -3.892 2.355 0.00 0.00 -0.380 OA ATOM 25 C LIG 1 -5.292 -3.362 1.099 0.00 0.00 +0.162 C ATOM 26 C LIG 1 -4.442 -2.182 0.635 0.00 0.00 +0.055 C ENDBRANCH 8 21 BRANCH 7 27 ATOM 27 N LIG 1 3.291 -0.303 0.094 0.00 0.00 -0.299 N ATOM 28 H LIG 1 3.775 -1.172 -0.108 0.00 0.00 +0.150 HD ATOM 29 C LIG 1 4.013 0.827 0.395 0.00 0.00 +0.245 C ATOM 30 O LIG 1 3.523 1.803 0.949 0.00 0.00 -0.270 OA BRANCH 29 31 ATOM 31 C LIG 1 5.458 0.800 0.041 0.00 0.00 +0.039 A ATOM 32 C LIG 1 6.335 1.592 0.800 0.00 0.00 +0.043 A ATOM 33 C LIG 1 7.698 1.576 0.480 0.00 0.00 +0.089 A ATOM 34 C LIG 1 8.143 0.794 -0.581 0.00 0.00 +0.066 A ATOM 35 N LIG 1 9.497 1.013 -0.617 0.00 0.00 -0.344 N ATOM 36 H LIG 1 10.148 0.605 -1.272 0.00 0.00 +0.167 HD ATOM 37 C LIG 1 9.810 1.883 0.388 0.00 0.00 +0.197 A ATOM 38 C LIG 1 7.296 0.010 -1.366 0.00 0.00 +0.028 A ATOM 39 N LIG 1 8.746 2.240 1.069 0.00 0.00 -0.236 NA ATOM 40 C LIG 1 5.935 0.031 -1.034 0.00 0.00 +0.015 A ENDBRANCH 29 31 ENDBRANCH 7 27 BRANCH 6 41 ATOM 41 C LIG 1 1.087 0.102 -1.865 0.00 0.00 -0.001 C ATOM 42 C LIG 1 2.068 0.907 -2.683 0.00 0.00 +0.004 C ATOM 43 C LIG 1 0.593 1.081 -2.904 0.00 0.00 +0.004 C ENDBRANCH 6 41 BRANCH 1 45 ATOM 44 C LIG 1 -0.485 -4.397 -0.392 0.00 0.00 +0.025 C ATOM 45 C LIG 1 -0.115 -3.695 0.906 0.00 0.00 +0.112 C ENDBRANCH 1 45 TORSDOF 7