REMARK Name = BDB021509 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.111 -1.503 0.341 0.00 0.00 +0.124 A ATOM 2 C LIG 1 2.047 -2.131 -0.309 0.00 0.00 +0.092 A ATOM 3 C LIG 1 0.854 -1.455 -0.637 0.00 0.00 +0.136 A ATOM 4 O LIG 1 -0.027 -2.296 -1.252 0.00 0.00 -0.490 OA ATOM 5 C LIG 1 -1.366 -1.862 -1.413 0.00 0.00 +0.248 C ATOM 6 C LIG 1 -1.425 -0.673 -2.351 0.00 0.00 +0.149 C ATOM 7 N LIG 1 -1.355 0.573 -1.607 0.00 0.00 -0.292 N ATOM 8 C LIG 1 -0.420 0.823 -0.607 0.00 0.00 +0.250 C ATOM 9 O LIG 1 -0.513 1.856 0.065 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 0.727 -0.098 -0.325 0.00 0.00 +0.079 A ATOM 11 C LIG 1 1.811 0.523 0.339 0.00 0.00 +0.020 A ATOM 12 C LIG 1 2.985 -0.166 0.670 0.00 0.00 +0.046 A ENDROOT BRANCH 1 13 ATOM 13 O LIG 1 4.183 -2.308 0.583 0.00 0.00 -0.490 OA BRANCH 13 14 ATOM 14 C LIG 1 5.344 -1.762 1.223 0.00 0.00 +0.248 C BRANCH 14 16 ATOM 15 N LIG 1 7.649 -0.792 0.748 0.00 0.00 -0.294 NA ATOM 16 C LIG 1 6.288 -1.061 0.221 0.00 0.00 +0.094 C ATOM 17 C LIG 1 6.534 -1.975 -0.984 0.00 0.00 +0.023 C ATOM 18 C LIG 1 7.802 -1.421 -1.578 0.00 0.00 +0.017 C ATOM 19 C LIG 1 8.605 -1.001 -0.362 0.00 0.00 +0.085 C BRANCH 15 21 ATOM 20 C LIG 1 6.802 0.875 2.457 0.00 0.00 +0.024 C ATOM 21 C LIG 1 7.858 0.515 1.406 0.00 0.00 +0.051 C ATOM 22 C LIG 1 9.228 0.538 2.108 0.00 0.00 +0.024 C ENDBRANCH 15 21 ENDBRANCH 14 16 ENDBRANCH 13 14 ENDBRANCH 1 13 BRANCH 7 23 ATOM 23 C LIG 1 -2.345 1.617 -1.913 0.00 0.00 +0.140 C BRANCH 23 24 ATOM 24 C LIG 1 -3.592 1.631 -0.991 0.00 0.00 +0.146 C BRANCH 24 25 ATOM 25 O LIG 1 -3.232 1.616 0.393 0.00 0.00 -0.389 OA ATOM 26 H LIG 1 -2.318 1.960 0.472 0.00 0.00 +0.210 HD ENDBRANCH 24 25 BRANCH 24 27 ATOM 27 C LIG 1 -4.556 0.460 -1.308 0.00 0.00 +0.117 C BRANCH 27 28 ATOM 28 N LIG 1 -5.825 0.409 -0.561 0.00 0.00 -0.295 NA ATOM 29 C LIG 1 -6.609 1.643 -0.603 0.00 0.00 +0.120 C ATOM 30 C LIG 1 -7.904 1.516 0.169 0.00 0.00 -0.030 A ATOM 31 C LIG 1 -8.662 0.347 0.009 0.00 0.00 -0.042 A ATOM 32 C LIG 1 -9.894 0.214 0.655 0.00 0.00 +0.004 A ATOM 33 C LIG 1 -10.360 1.238 1.478 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -9.606 2.399 1.646 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -8.126 -0.702 -0.922 0.00 0.00 +0.051 C ATOM 36 C LIG 1 -8.383 2.543 0.989 0.00 0.00 +0.005 A ATOM 37 C LIG 1 -6.589 -0.813 -0.869 0.00 0.00 +0.089 C ENDBRANCH 27 28 ENDBRANCH 24 27 ENDBRANCH 23 24 ENDBRANCH 7 23 TORSDOF 9