REMARK Name = BDB058005 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.228 -2.559 -2.431 0.00 0.00 +0.037 A ATOM 2 C LIG 1 0.259 -3.434 -1.340 0.00 0.00 +0.013 A ATOM 3 C LIG 1 -0.795 -3.440 -0.420 0.00 0.00 +0.009 A ATOM 4 C LIG 1 -1.882 -2.571 -0.576 0.00 0.00 -0.021 A ATOM 5 C LIG 1 -1.930 -1.734 -1.697 0.00 0.00 +0.009 A ATOM 6 C LIG 1 -0.882 -1.728 -2.621 0.00 0.00 +0.013 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -2.954 -2.582 0.424 0.00 0.00 +0.058 C ATOM 8 C LIG 1 -3.442 -1.480 1.010 0.00 0.00 +0.176 C ATOM 9 C LIG 1 -4.505 -1.510 2.045 0.00 0.00 +0.231 C ATOM 10 O LIG 1 -5.104 -2.457 2.505 0.00 0.00 -0.283 OA ATOM 11 C LIG 1 -4.666 -0.102 2.387 0.00 0.00 +0.068 A ATOM 12 C LIG 1 -3.769 0.626 1.607 0.00 0.00 +0.152 A ATOM 13 C LIG 1 -3.706 2.005 1.711 0.00 0.00 +0.079 A ATOM 14 C LIG 1 -4.563 2.629 2.638 0.00 0.00 +0.017 A ATOM 15 C LIG 1 -5.464 1.876 3.420 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -5.524 0.487 3.296 0.00 0.00 +0.015 A ATOM 17 O LIG 1 -3.028 -0.176 0.768 0.00 0.00 -0.451 OA BRANCH 13 18 ATOM 18 C LIG 1 -2.747 2.784 0.893 0.00 0.00 +0.245 C ATOM 19 O LIG 1 -1.684 2.319 0.508 0.00 0.00 -0.270 OA ATOM 20 N LIG 1 -3.110 4.062 0.564 0.00 0.00 -0.325 N ATOM 21 H LIG 1 -4.061 4.394 0.638 0.00 0.00 +0.145 HD ATOM 22 H LIG 1 -2.501 4.543 -0.087 0.00 0.00 +0.145 HD ENDBRANCH 13 18 ENDBRANCH 4 7 BRANCH 1 25 ATOM 23 N LIG 1 2.613 -2.714 -2.880 0.00 0.00 -0.311 N ATOM 24 H LIG 1 2.715 -2.766 -1.873 0.00 0.00 +0.149 HD ATOM 25 C LIG 1 1.360 -2.447 -3.391 0.00 0.00 +0.244 C ATOM 26 O LIG 1 1.170 -2.034 -4.529 0.00 0.00 -0.270 OA BRANCH 23 27 ATOM 27 C LIG 1 3.819 -2.335 -3.605 0.00 0.00 +0.112 C BRANCH 27 28 ATOM 28 C LIG 1 4.000 -0.819 -3.752 0.00 0.00 +0.093 C BRANCH 28 35 ATOM 29 C LIG 1 3.621 1.575 1.733 0.00 0.00 +0.122 A ATOM 30 C LIG 1 4.496 0.921 0.853 0.00 0.00 +0.075 A ATOM 31 C LIG 1 4.053 0.600 -0.438 0.00 0.00 +0.093 A ATOM 32 C LIG 1 2.763 0.948 -0.815 0.00 0.00 +0.066 A ATOM 33 N LIG 1 2.657 0.509 -2.108 0.00 0.00 -0.342 N ATOM 34 H LIG 1 1.837 0.576 -2.694 0.00 0.00 +0.167 HD ATOM 35 C LIG 1 3.834 -0.117 -2.446 0.00 0.00 +0.110 A ATOM 36 C LIG 1 1.864 1.593 0.033 0.00 0.00 +0.031 A ATOM 37 N LIG 1 4.702 -0.056 -1.458 0.00 0.00 -0.232 NA ATOM 38 C LIG 1 2.323 1.900 1.322 0.00 0.00 +0.048 A BRANCH 29 40 ATOM 39 C LIG 1 3.319 2.501 3.904 0.00 0.00 +0.277 C ATOM 40 O LIG 1 4.155 1.834 2.968 0.00 0.00 -0.495 OA ENDBRANCH 29 40 ENDBRANCH 28 35 ENDBRANCH 27 28 ENDBRANCH 23 27 ENDBRANCH 1 25 TORSDOF 7