REMARK Name = BDB005271 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.096 -0.209 1.014 0.00 0.00 +0.161 C ATOM 2 N LIG 1 -2.627 0.993 1.730 0.00 0.00 -0.253 N ATOM 3 C LIG 1 -1.618 1.963 2.004 0.00 0.00 +0.272 C ATOM 4 O LIG 1 -1.725 3.055 2.539 0.00 0.00 -0.268 OA ATOM 5 C LIG 1 -0.398 1.363 1.524 0.00 0.00 +0.150 A ATOM 6 N LIG 1 0.920 1.653 1.460 0.00 0.00 -0.222 NA ATOM 7 C LIG 1 1.471 0.619 0.823 0.00 0.00 +0.149 A ATOM 8 N LIG 1 0.519 -0.371 0.558 0.00 0.00 -0.322 N ATOM 9 C LIG 1 -0.664 0.152 0.976 0.00 0.00 +0.077 A ENDROOT BRANCH 2 10 ATOM 10 C LIG 1 -4.021 1.240 1.900 0.00 0.00 +0.042 A ATOM 11 C LIG 1 -4.948 0.241 2.273 0.00 0.00 -0.029 A ATOM 12 C LIG 1 -4.563 -1.141 2.725 0.00 0.00 +0.045 C ATOM 13 C LIG 1 -6.324 0.550 2.301 0.00 0.00 +0.006 A ATOM 14 C LIG 1 -6.782 1.834 2.017 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -5.866 2.828 1.707 0.00 0.00 +0.043 A ATOM 16 CL LIG 1 -6.422 4.420 1.359 0.00 0.00 -0.083 Cl ATOM 17 C LIG 1 -4.503 2.540 1.653 0.00 0.00 +0.043 A ENDBRANCH 2 10 BRANCH 1 21 ATOM 18 C LIG 1 -3.701 -0.834 -2.945 0.00 0.00 +0.126 A ATOM 19 C LIG 1 -3.617 -1.904 -2.059 0.00 0.00 +0.042 A ATOM 20 C LIG 1 -3.102 -1.691 -0.779 0.00 0.00 +0.009 A ATOM 21 C LIG 1 -2.674 -0.411 -0.379 0.00 0.00 -0.021 A ATOM 22 C LIG 1 -2.766 0.650 -1.302 0.00 0.00 +0.009 A ATOM 23 C LIG 1 -3.281 0.442 -2.583 0.00 0.00 +0.042 A BRANCH 18 25 ATOM 24 C LIG 1 -4.637 -1.233 -5.293 0.00 0.00 +0.135 C ATOM 25 N LIG 1 -4.210 -1.047 -4.218 0.00 0.00 -0.350 NA ENDBRANCH 18 25 ENDBRANCH 1 21 BRANCH 7 26 ATOM 26 C LIG 1 2.886 0.554 0.502 0.00 0.00 +0.097 A ATOM 27 C LIG 1 3.414 0.735 -0.757 0.00 0.00 +0.230 A ATOM 28 N LIG 1 4.732 0.652 -1.039 0.00 0.00 -0.179 NA ATOM 29 C LIG 1 5.581 0.429 -0.024 0.00 0.00 +0.220 A ATOM 30 N LIG 1 5.158 0.282 1.244 0.00 0.00 -0.222 NA ATOM 31 C LIG 1 3.831 0.367 1.481 0.00 0.00 +0.131 A BRANCH 29 32 ATOM 32 N LIG 1 6.948 0.370 -0.290 0.00 0.00 -0.306 N ATOM 33 C LIG 1 7.291 0.071 -1.669 0.00 0.00 +0.132 C ATOM 34 C LIG 1 7.745 -0.269 0.744 0.00 0.00 +0.132 C ENDBRANCH 29 32 BRANCH 27 35 ATOM 35 O LIG 1 2.531 0.992 -1.792 0.00 0.00 -0.479 OA ATOM 36 C LIG 1 3.175 1.401 -2.994 0.00 0.00 +0.279 C ENDBRANCH 27 35 ENDBRANCH 7 26 BRANCH 8 37 ATOM 37 C LIG 1 0.687 -1.720 0.029 0.00 0.00 +0.083 C ATOM 38 C LIG 1 1.764 -2.538 0.742 0.00 0.00 +0.030 C ATOM 39 C LIG 1 0.856 -1.757 -1.487 0.00 0.00 +0.030 C ENDBRANCH 8 37 TORSDOF 7