REMARK Name = BDB025037 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.622 1.377 -0.248 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.500 1.744 -1.013 0.00 0.00 -0.234 N ATOM 3 C LIG 1 4.552 2.956 -1.869 0.00 0.00 +0.082 C ATOM 4 C LIG 1 5.506 2.765 -3.061 0.00 0.00 +0.028 C ATOM 5 C LIG 1 3.199 3.406 -2.440 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.106 3.251 -1.409 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.038 1.799 -1.037 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.804 1.145 -0.830 0.00 0.00 +0.096 A ATOM 9 N LIG 1 -0.465 1.647 -0.961 0.00 0.00 -0.214 NA ATOM 10 C LIG 1 -1.287 0.671 -0.643 0.00 0.00 +0.204 A ATOM 11 N LIG 1 -0.576 -0.482 -0.337 0.00 0.00 -0.308 N ATOM 12 C LIG 1 0.770 -0.189 -0.448 0.00 0.00 +0.071 A ATOM 13 C LIG 1 1.937 -0.934 -0.272 0.00 0.00 +0.030 A ATOM 14 C LIG 1 3.159 -0.276 -0.471 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.236 1.075 -0.839 0.00 0.00 +0.045 A ATOM 16 O LIG 1 5.699 0.423 0.519 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.154 -1.792 -0.059 0.00 0.00 +0.091 C ATOM 18 C LIG 1 -0.898 -2.808 -1.184 0.00 0.00 +0.040 C ATOM 19 C LIG 1 -1.673 -4.121 -0.966 0.00 0.00 +0.100 C ATOM 20 C LIG 1 -2.131 -4.337 0.482 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -1.075 -3.846 1.467 0.00 0.00 +0.003 C ATOM 22 C LIG 1 -0.809 -2.344 1.335 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 -2.836 -4.287 -1.930 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -2.965 -5.263 -2.655 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -3.745 -3.290 -1.916 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -3.575 -2.566 -1.287 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 7.833 1.922 0.349 0.00 0.00 +0.282 C ATOM 28 O LIG 1 6.665 2.246 -0.407 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 N LIG 1 -2.658 0.712 -0.660 0.00 0.00 -0.274 N ATOM 30 C LIG 1 -3.204 1.855 -1.416 0.00 0.00 +0.138 C BRANCH 29 31 ATOM 31 C LIG 1 -3.410 0.555 0.547 0.00 0.00 +0.036 A ATOM 32 C LIG 1 -4.705 0.017 0.486 0.00 0.00 +0.027 A ATOM 33 C LIG 1 -5.448 -0.188 1.652 0.00 0.00 +0.047 A ATOM 34 C LIG 1 -4.921 0.148 2.900 0.00 0.00 +0.120 A ATOM 35 C LIG 1 -3.637 0.687 2.974 0.00 0.00 +0.047 A ATOM 36 C LIG 1 -2.890 0.889 1.808 0.00 0.00 +0.027 A BRANCH 34 37 ATOM 37 O LIG 1 -5.748 -0.107 3.959 0.00 0.00 -0.495 OA ATOM 38 C LIG 1 -5.340 0.396 5.226 0.00 0.00 +0.277 C ENDBRANCH 34 37 ENDBRANCH 29 31 ENDBRANCH 10 29 TORSDOF 7