REMARK Name = BDB008573 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.248 -0.568 1.121 0.00 0.00 +0.124 A ATOM 2 C LIG 1 0.004 -0.327 0.541 0.00 0.00 +0.051 A ATOM 3 C LIG 1 -0.293 0.912 -0.063 0.00 0.00 -0.020 A ATOM 4 C LIG 1 0.705 1.905 -0.076 0.00 0.00 +0.051 A ATOM 5 C LIG 1 1.954 1.674 0.505 0.00 0.00 +0.124 A ATOM 6 C LIG 1 2.214 0.436 1.094 0.00 0.00 +0.091 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -1.671 1.107 -0.704 0.00 0.00 +0.104 C ATOM 8 C LIG 1 -1.939 2.485 -1.328 0.00 0.00 +0.033 C BRANCH 7 9 ATOM 9 N LIG 1 -2.791 0.758 0.222 0.00 0.00 -0.289 N ATOM 10 C LIG 1 -3.912 0.001 -0.174 0.00 0.00 +0.246 C ATOM 11 O LIG 1 -4.846 -0.257 0.593 0.00 0.00 -0.273 OA BRANCH 10 12 ATOM 12 C LIG 1 -3.965 -0.558 -1.628 0.00 0.00 +0.217 C ATOM 13 O LIG 1 -5.275 -0.802 -2.155 0.00 0.00 -0.365 OA ATOM 14 C LIG 1 -5.946 -1.927 -1.570 0.00 0.00 +0.176 C ATOM 15 C LIG 1 -5.004 -3.075 -1.171 0.00 0.00 +0.109 C ATOM 16 N LIG 1 -3.789 -3.089 -2.001 0.00 0.00 -0.311 NA ATOM 17 H LIG 1 -4.098 -3.087 -2.976 0.00 0.00 +0.122 HD ATOM 18 C LIG 1 -3.070 -1.820 -1.763 0.00 0.00 +0.122 C ENDBRANCH 10 12 BRANCH 9 19 ATOM 19 C LIG 1 -2.726 1.408 1.538 0.00 0.00 +0.077 C ATOM 20 C LIG 1 -3.895 1.764 2.412 0.00 0.00 +0.024 C ATOM 21 C LIG 1 -2.976 0.641 2.808 0.00 0.00 +0.024 C ENDBRANCH 9 19 ENDBRANCH 7 9 ENDBRANCH 3 7 BRANCH 1 22 ATOM 22 O LIG 1 1.639 -1.724 1.736 0.00 0.00 -0.492 OA BRANCH 22 23 ATOM 23 C LIG 1 0.687 -2.782 1.819 0.00 0.00 +0.231 C BRANCH 23 24 ATOM 24 C LIG 1 1.298 -3.981 2.547 0.00 0.00 +0.069 C BRANCH 24 25 ATOM 25 C LIG 1 2.363 -4.703 1.724 0.00 0.00 +0.163 C BRANCH 25 27 ATOM 26 C LIG 1 4.558 -4.549 0.881 0.00 0.00 +0.193 C ATOM 27 O LIG 1 3.557 -3.929 1.674 0.00 0.00 -0.383 OA ENDBRANCH 25 27 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 1 22 BRANCH 5 28 ATOM 28 O LIG 1 3.000 2.551 0.555 0.00 0.00 -0.492 OA BRANCH 28 29 ATOM 29 C LIG 1 2.827 3.882 0.066 0.00 0.00 +0.231 C BRANCH 29 30 ATOM 30 C LIG 1 3.116 3.967 -1.433 0.00 0.00 +0.069 C BRANCH 30 31 ATOM 31 C LIG 1 4.567 3.625 -1.759 0.00 0.00 +0.163 C BRANCH 31 32 ATOM 32 O LIG 1 5.412 4.646 -1.231 0.00 0.00 -0.383 OA ATOM 33 C LIG 1 6.786 4.352 -1.449 0.00 0.00 +0.193 C ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 5 28 TORSDOF 14