REMARK Name = BDB025160 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.321 -2.031 0.866 0.00 0.00 +0.407 C ATOM 2 N LIG 1 -3.954 -2.274 1.091 0.00 0.00 -0.234 N ATOM 3 C LIG 1 -3.518 -3.651 1.405 0.00 0.00 +0.082 C ATOM 4 C LIG 1 -3.236 -4.444 0.122 0.00 0.00 +0.028 C ATOM 5 C LIG 1 -2.349 -3.670 2.385 0.00 0.00 +0.027 C ATOM 6 C LIG 1 -1.170 -2.912 1.821 0.00 0.00 +0.041 C ATOM 7 C LIG 1 -1.581 -1.559 1.315 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -0.592 -0.559 1.157 0.00 0.00 +0.098 A ATOM 9 N LIG 1 0.754 -0.639 1.422 0.00 0.00 -0.195 NA ATOM 10 C LIG 1 1.241 0.539 1.116 0.00 0.00 +0.299 A ATOM 11 N LIG 1 0.265 1.394 0.663 0.00 0.00 -0.291 N ATOM 12 C LIG 1 -0.927 0.702 0.677 0.00 0.00 +0.072 A ATOM 13 C LIG 1 -2.233 1.027 0.324 0.00 0.00 +0.030 A ATOM 14 C LIG 1 -3.207 0.028 0.471 0.00 0.00 +0.026 A ATOM 15 C LIG 1 -2.925 -1.260 0.960 0.00 0.00 +0.045 A ATOM 16 O LIG 1 -5.855 -0.943 0.687 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 0.490 2.780 0.264 0.00 0.00 +0.092 C ATOM 18 C LIG 1 -0.188 3.770 1.221 0.00 0.00 +0.026 C ATOM 19 C LIG 1 0.085 5.209 0.793 0.00 0.00 +0.017 C ATOM 20 C LIG 1 -0.340 5.504 -0.652 0.00 0.00 +0.098 C ATOM 21 C LIG 1 -0.748 4.251 -1.444 0.00 0.00 +0.017 C ATOM 22 C LIG 1 0.167 3.045 -1.218 0.00 0.00 +0.026 C BRANCH 20 23 ATOM 23 C LIG 1 0.762 6.274 -1.366 0.00 0.00 +0.308 C ATOM 24 O LIG 1 1.548 5.791 -2.164 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 0.811 7.578 -1.006 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 0.134 7.843 -0.355 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 20 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 -7.458 -3.000 0.652 0.00 0.00 +0.282 C ATOM 28 O LIG 1 -6.059 -3.185 0.874 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 O LIG 1 2.518 0.902 1.212 0.00 0.00 -0.464 OA BRANCH 29 30 ATOM 30 C LIG 1 3.419 -0.119 1.643 0.00 0.00 +0.232 C BRANCH 30 31 ATOM 31 C LIG 1 3.829 -1.050 0.501 0.00 0.00 +0.046 C BRANCH 31 32 ATOM 32 C LIG 1 4.429 -0.282 -0.679 0.00 0.00 +0.038 C BRANCH 32 33 ATOM 33 C LIG 1 4.883 -1.214 -1.775 0.00 0.00 -0.047 A ATOM 34 C LIG 1 3.963 -1.711 -2.708 0.00 0.00 +0.003 A ATOM 35 C LIG 1 4.377 -2.585 -3.714 0.00 0.00 +0.000 A ATOM 36 C LIG 1 5.713 -2.974 -3.794 0.00 0.00 +0.000 A ATOM 37 C LIG 1 6.635 -2.491 -2.867 0.00 0.00 +0.000 A ATOM 38 C LIG 1 6.222 -1.617 -1.860 0.00 0.00 +0.003 A ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 10 29 TORSDOF 9