REMARK Name = BDB061265 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.916 0.443 1.846 0.00 0.00 +0.051 A ATOM 2 C LIG 1 -3.125 0.894 1.282 0.00 0.00 +0.151 A ATOM 3 C LIG 1 -3.841 1.934 1.877 0.00 0.00 +0.106 A ATOM 4 C LIG 1 -5.085 2.383 1.240 0.00 0.00 +0.197 A ATOM 5 C LIG 1 -5.479 1.723 -0.012 0.00 0.00 +0.098 A ATOM 6 C LIG 1 -4.718 0.724 -0.480 0.00 0.00 +0.139 A ATOM 7 O LIG 1 -5.764 3.278 1.733 0.00 0.00 -0.287 OA ATOM 8 C LIG 1 -3.369 2.529 3.049 0.00 0.00 +0.135 A ATOM 9 C LIG 1 -2.181 2.092 3.627 0.00 0.00 +0.092 A ATOM 10 O LIG 1 -3.567 0.270 0.140 0.00 0.00 -0.454 OA ATOM 11 C LIG 1 -1.463 1.058 3.024 0.00 0.00 +0.128 A ENDROOT BRANCH 6 12 ATOM 12 C LIG 1 -5.030 0.022 -1.742 0.00 0.00 +0.018 A ATOM 13 C LIG 1 -6.347 -0.316 -2.096 0.00 0.00 +0.015 A ATOM 14 C LIG 1 -6.617 -0.993 -3.290 0.00 0.00 +0.046 A ATOM 15 C LIG 1 -5.567 -1.341 -4.132 0.00 0.00 +0.117 A ATOM 16 C LIG 1 -4.256 -1.027 -3.799 0.00 0.00 +0.046 A ATOM 17 C LIG 1 -3.989 -0.351 -2.606 0.00 0.00 +0.015 A BRANCH 15 18 ATOM 18 O LIG 1 -5.784 -2.002 -5.304 0.00 0.00 -0.507 OA ATOM 19 H LIG 1 -6.739 -2.148 -5.407 0.00 0.00 +0.292 HD ENDBRANCH 15 18 ENDBRANCH 6 12 BRANCH 8 20 ATOM 20 O LIG 1 -4.023 3.549 3.687 0.00 0.00 -0.506 OA ATOM 21 H LIG 1 -4.838 3.757 3.174 0.00 0.00 +0.292 HD ENDBRANCH 8 20 BRANCH 11 22 ATOM 22 O LIG 1 -0.291 0.635 3.588 0.00 0.00 -0.506 OA ATOM 23 H LIG 1 -0.116 1.166 4.384 0.00 0.00 +0.292 HD ENDBRANCH 11 22 BRANCH 1 24 ATOM 24 C LIG 1 -1.129 -0.672 1.183 0.00 0.00 +0.127 C BRANCH 24 28 ATOM 25 N LIG 1 2.338 -1.157 -0.149 0.00 0.00 -0.296 NA ATOM 26 C LIG 1 1.223 -2.111 -0.295 0.00 0.00 +0.100 C ATOM 27 C LIG 1 -0.054 -1.445 -0.860 0.00 0.00 +0.100 C ATOM 28 N LIG 1 -0.528 -0.269 -0.102 0.00 0.00 -0.296 NA ATOM 29 C LIG 1 0.612 0.658 0.072 0.00 0.00 +0.100 C ATOM 30 C LIG 1 1.901 0.014 0.639 0.00 0.00 +0.100 C BRANCH 25 31 ATOM 31 C LIG 1 3.503 -1.819 0.458 0.00 0.00 +0.119 C BRANCH 31 35 ATOM 32 C LIG 1 7.125 0.555 0.309 0.00 0.00 +0.120 A ATOM 33 C LIG 1 6.436 0.250 -0.864 0.00 0.00 +0.046 A ATOM 34 C LIG 1 5.266 -0.515 -0.812 0.00 0.00 +0.008 A ATOM 35 C LIG 1 4.764 -0.982 0.411 0.00 0.00 -0.033 A ATOM 36 C LIG 1 5.463 -0.675 1.584 0.00 0.00 +0.008 A ATOM 37 C LIG 1 6.633 0.088 1.530 0.00 0.00 +0.046 A BRANCH 32 39 ATOM 38 C LIG 1 8.810 1.796 -0.816 0.00 0.00 +0.277 C ATOM 39 O LIG 1 8.276 1.290 0.400 0.00 0.00 -0.495 OA ENDBRANCH 32 39 ENDBRANCH 31 35 ENDBRANCH 25 31 ENDBRANCH 24 28 ENDBRANCH 1 24 TORSDOF 9