REMARK Name = BDB015235 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.393 -3.589 -1.000 0.00 0.00 -0.014 A ATOM 2 C LIG 1 -0.777 -2.830 -0.816 0.00 0.00 +0.054 A ATOM 3 C LIG 1 -1.864 -2.973 -1.682 0.00 0.00 +0.121 A ATOM 4 C LIG 1 -1.781 -3.841 -2.768 0.00 0.00 +0.045 A ATOM 5 C LIG 1 -0.631 -4.602 -2.966 0.00 0.00 +0.004 A ATOM 6 C LIG 1 0.446 -4.479 -2.085 0.00 0.00 +0.009 A ENDROOT BRANCH 1 12 ATOM 7 N LIG 1 5.160 -2.494 0.206 0.00 0.00 -0.321 N ATOM 8 C LIG 1 3.848 -2.891 0.329 0.00 0.00 +0.070 A ATOM 9 C LIG 1 3.705 -3.159 1.688 0.00 0.00 +0.089 A ATOM 10 C LIG 1 2.461 -3.572 2.181 0.00 0.00 +0.030 A ATOM 11 C LIG 1 1.390 -3.705 1.286 0.00 0.00 +0.011 A ATOM 12 C LIG 1 1.536 -3.442 -0.086 0.00 0.00 -0.016 A ATOM 13 N LIG 1 4.885 -2.959 2.358 0.00 0.00 -0.236 NA ATOM 14 C LIG 1 2.790 -3.030 -0.581 0.00 0.00 +0.036 A ATOM 15 C LIG 1 5.743 -2.576 1.441 0.00 0.00 +0.200 A BRANCH 7 16 ATOM 16 C LIG 1 5.832 -2.084 -1.009 0.00 0.00 +0.219 C BRANCH 16 22 ATOM 17 C LIG 1 3.928 3.994 -2.504 0.00 0.00 +0.105 C ATOM 18 N LIG 1 4.506 2.668 -2.318 0.00 0.00 -0.302 NA ATOM 19 C LIG 1 5.947 2.740 -1.998 0.00 0.00 +0.103 C ATOM 20 C LIG 1 6.459 1.710 -0.966 0.00 0.00 +0.123 C ATOM 21 N LIG 1 5.797 0.411 -1.085 0.00 0.00 -0.298 N ATOM 22 C LIG 1 6.531 -0.745 -0.866 0.00 0.00 +0.235 C ATOM 23 O LIG 1 7.728 -0.714 -0.569 0.00 0.00 -0.274 OA ATOM 24 C LIG 1 4.336 0.453 -1.222 0.00 0.00 +0.123 C ATOM 25 C LIG 1 3.766 1.882 -1.325 0.00 0.00 +0.103 C ENDBRANCH 16 22 ENDBRANCH 7 16 ENDBRANCH 1 12 BRANCH 3 26 ATOM 26 O LIG 1 -3.006 -2.229 -1.583 0.00 0.00 -0.489 OA BRANCH 26 27 ATOM 27 C LIG 1 -3.600 -2.199 -0.274 0.00 0.00 +0.261 C BRANCH 27 28 ATOM 28 C LIG 1 -3.927 -0.737 0.067 0.00 0.00 +0.166 C BRANCH 28 29 ATOM 29 O LIG 1 -2.698 0.004 0.091 0.00 0.00 -0.387 OA ATOM 30 H LIG 1 -2.298 -0.122 -0.790 0.00 0.00 +0.210 HD ENDBRANCH 28 29 BRANCH 28 31 ATOM 31 C LIG 1 -4.636 -0.654 1.438 0.00 0.00 +0.119 C BRANCH 31 32 ATOM 32 N LIG 1 -5.273 0.616 1.829 0.00 0.00 -0.295 NA ATOM 33 C LIG 1 -4.311 1.719 1.986 0.00 0.00 +0.120 C ATOM 34 C LIG 1 -4.972 3.014 2.418 0.00 0.00 -0.030 A ATOM 35 C LIG 1 -6.341 3.238 2.180 0.00 0.00 -0.042 A ATOM 36 C LIG 1 -6.922 4.457 2.552 0.00 0.00 +0.004 A ATOM 37 C LIG 1 -6.145 5.459 3.134 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -4.785 5.248 3.353 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -7.191 2.141 1.589 0.00 0.00 +0.051 C ATOM 40 C LIG 1 -4.200 4.034 2.994 0.00 0.00 +0.005 A ATOM 41 C LIG 1 -6.360 1.027 0.935 0.00 0.00 +0.089 C ENDBRANCH 31 32 ENDBRANCH 28 31 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 3 26 TORSDOF 9