REMARK Name = BDB022752 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.764 0.795 1.011 0.00 0.00 +0.101 A ATOM 2 C LIG 1 -0.981 0.882 -0.399 0.00 0.00 +0.080 A ATOM 3 C LIG 1 0.185 1.444 -0.884 0.00 0.00 +0.122 A ATOM 4 N LIG 1 0.983 1.687 0.192 0.00 0.00 -0.266 N ATOM 5 N LIG 1 0.411 1.347 1.360 0.00 0.00 -0.173 NA ENDROOT BRANCH 2 6 ATOM 6 C LIG 1 -2.099 0.471 -1.232 0.00 0.00 +0.248 C ATOM 7 N LIG 1 -3.316 0.458 -0.607 0.00 0.00 -0.306 N ATOM 8 H LIG 1 -3.453 0.928 0.279 0.00 0.00 +0.149 HD ATOM 9 O LIG 1 -1.968 0.198 -2.422 0.00 0.00 -0.270 OA BRANCH 7 10 ATOM 10 C LIG 1 -4.537 0.174 -1.328 0.00 0.00 +0.160 C BRANCH 10 11 ATOM 11 C LIG 1 -5.747 0.273 -0.416 0.00 0.00 +0.065 A ATOM 12 C LIG 1 -7.030 -0.070 -0.867 0.00 0.00 +0.014 A ATOM 13 C LIG 1 -7.239 -0.571 -2.270 0.00 0.00 +0.049 C ATOM 14 C LIG 1 -8.101 0.078 0.033 0.00 0.00 +0.126 A ATOM 15 C LIG 1 -7.856 0.546 1.321 0.00 0.00 +0.065 A ATOM 16 C LIG 1 -6.558 0.861 1.675 0.00 0.00 +0.114 A ATOM 17 N LIG 1 -5.505 0.743 0.844 0.00 0.00 -0.258 NA BRANCH 14 18 ATOM 18 O LIG 1 -9.341 -0.266 -0.440 0.00 0.00 -0.495 OA ATOM 19 C LIG 1 -10.464 0.017 0.387 0.00 0.00 +0.277 C ENDBRANCH 14 18 ENDBRANCH 10 11 ENDBRANCH 7 10 ENDBRANCH 2 6 BRANCH 1 20 ATOM 20 C LIG 1 -1.662 0.176 2.051 0.00 0.00 +0.217 C BRANCH 20 22 ATOM 21 C LIG 1 -0.248 -1.477 3.007 0.00 0.00 +0.194 C ATOM 22 O LIG 1 -1.002 -0.295 3.238 0.00 0.00 -0.377 OA ENDBRANCH 20 22 ENDBRANCH 1 20 BRANCH 4 23 ATOM 23 C LIG 1 2.307 2.294 0.177 0.00 0.00 +0.178 C BRANCH 23 24 ATOM 24 C LIG 1 3.358 1.321 -0.297 0.00 0.00 -0.026 A ATOM 25 C LIG 1 3.945 1.460 -1.563 0.00 0.00 +0.006 A ATOM 26 C LIG 1 4.911 0.550 -2.001 0.00 0.00 +0.006 A ATOM 27 C LIG 1 5.307 -0.518 -1.184 0.00 0.00 -0.028 A ATOM 28 C LIG 1 4.722 -0.654 0.082 0.00 0.00 +0.006 A ATOM 29 C LIG 1 3.757 0.255 0.521 0.00 0.00 +0.006 A BRANCH 27 30 ATOM 30 C LIG 1 6.354 -1.505 -1.652 0.00 0.00 +0.160 C BRANCH 30 31 ATOM 31 N LIG 1 7.645 -1.309 -0.997 0.00 0.00 -0.311 N ATOM 32 C LIG 1 7.990 -2.148 0.062 0.00 0.00 +0.252 A ATOM 33 O LIG 1 7.296 -3.067 0.491 0.00 0.00 -0.268 OA ATOM 34 C LIG 1 9.312 -1.885 0.698 0.00 0.00 +0.070 A ATOM 35 C LIG 1 10.089 -0.889 0.256 0.00 0.00 +0.007 A ATOM 36 C LIG 1 9.658 -0.057 -0.837 0.00 0.00 +0.018 A ATOM 37 C LIG 1 8.475 -0.281 -1.421 0.00 0.00 +0.089 A ENDBRANCH 30 31 ENDBRANCH 27 30 ENDBRANCH 23 24 ENDBRANCH 4 23 TORSDOF 10