REMARK Name = BDB010804 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.878 -0.125 0.794 0.00 0.00 +0.149 A ATOM 2 C LIG 1 -1.010 0.961 0.683 0.00 0.00 +0.128 A ATOM 3 C LIG 1 -1.198 2.066 1.499 0.00 0.00 +0.184 A ATOM 4 N LIG 1 -0.268 3.030 1.263 0.00 0.00 -0.212 NA ATOM 5 C LIG 1 0.486 2.575 0.283 0.00 0.00 +0.116 A ATOM 6 N LIG 1 -2.177 2.186 2.407 0.00 0.00 -0.202 NA ATOM 7 C LIG 1 -2.983 1.121 2.431 0.00 0.00 +0.221 A ATOM 8 N LIG 1 0.077 1.304 -0.097 0.00 0.00 -0.323 N ATOM 9 N LIG 1 -2.883 0.002 1.683 0.00 0.00 -0.206 NA ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 -4.106 1.157 3.390 0.00 0.00 +0.287 A ATOM 11 O LIG 1 -4.216 2.288 4.135 0.00 0.00 -0.385 OA ATOM 12 C LIG 1 -5.305 2.063 4.915 0.00 0.00 +0.436 A ATOM 13 O LIG 1 -5.766 2.829 5.742 0.00 0.00 -0.221 OA ATOM 14 N LIG 1 -5.766 0.820 4.585 0.00 0.00 -0.208 N ATOM 15 H LIG 1 -6.572 0.366 4.993 0.00 0.00 +0.195 HD ATOM 16 N LIG 1 -5.007 0.244 3.618 0.00 0.00 -0.127 NA ENDBRANCH 7 10 BRANCH 5 17 ATOM 17 C LIG 1 1.620 3.350 -0.338 0.00 0.00 +0.055 C ATOM 18 C LIG 1 1.109 4.677 -0.923 0.00 0.00 +0.011 C ATOM 19 C LIG 1 2.249 5.508 -1.507 0.00 0.00 +0.001 C ATOM 20 C LIG 1 3.355 5.745 -0.483 0.00 0.00 +0.000 C ATOM 21 C LIG 1 3.864 4.435 0.111 0.00 0.00 +0.001 C ATOM 22 C LIG 1 2.726 3.604 0.699 0.00 0.00 +0.011 C ENDBRANCH 5 17 BRANCH 1 23 ATOM 23 N LIG 1 -1.756 -1.289 0.048 0.00 0.00 -0.324 N ATOM 24 H LIG 1 -0.796 -1.538 -0.140 0.00 0.00 +0.148 HD BRANCH 23 26 ATOM 25 C LIG 1 -1.989 -3.165 1.619 0.00 0.00 +0.028 C ATOM 26 C LIG 1 -2.590 -2.440 0.412 0.00 0.00 +0.072 C BRANCH 26 27 ATOM 27 C LIG 1 -2.629 -3.403 -0.779 0.00 0.00 +0.009 C ATOM 28 C LIG 1 -3.682 -4.547 -0.732 0.00 0.00 +0.005 C ATOM 29 C LIG 1 -3.855 -4.353 -2.252 0.00 0.00 +0.001 C ATOM 30 C LIG 1 -3.376 -2.902 -2.048 0.00 0.00 +0.005 C ENDBRANCH 26 27 ENDBRANCH 23 26 ENDBRANCH 1 23 BRANCH 8 31 ATOM 31 C LIG 1 0.633 0.547 -1.205 0.00 0.00 +0.127 C BRANCH 31 32 ATOM 32 C LIG 1 1.999 -0.114 -0.915 0.00 0.00 +0.009 C ATOM 33 C LIG 1 2.613 -0.605 -2.242 0.00 0.00 +0.005 C ATOM 34 C LIG 1 3.653 -1.694 -2.011 0.00 0.00 +0.003 C ATOM 35 C LIG 1 3.017 -2.952 -1.394 0.00 0.00 -0.014 C ATOM 36 C LIG 1 4.075 -3.767 -0.649 0.00 0.00 +0.007 C ATOM 37 C LIG 1 1.818 -2.620 -0.487 0.00 0.00 +0.003 C ATOM 38 C LIG 1 1.940 -1.235 0.142 0.00 0.00 +0.005 C ENDBRANCH 31 32 ENDBRANCH 8 31 TORSDOF 7