REMARK Name = BDB061267 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.658 -3.243 1.089 0.00 0.00 +0.051 A ATOM 2 C LIG 1 -3.839 -2.785 0.474 0.00 0.00 +0.151 A ATOM 3 C LIG 1 -4.729 -3.687 -0.113 0.00 0.00 +0.106 A ATOM 4 C LIG 1 -5.943 -3.162 -0.750 0.00 0.00 +0.197 A ATOM 5 C LIG 1 -6.133 -1.706 -0.742 0.00 0.00 +0.098 A ATOM 6 C LIG 1 -5.204 -0.938 -0.158 0.00 0.00 +0.139 A ATOM 7 O LIG 1 -6.762 -3.910 -1.274 0.00 0.00 -0.287 OA ATOM 8 C LIG 1 -4.458 -5.057 -0.091 0.00 0.00 +0.135 A ATOM 9 C LIG 1 -3.301 -5.531 0.516 0.00 0.00 +0.092 A ATOM 10 O LIG 1 -4.073 -1.429 0.471 0.00 0.00 -0.454 OA ATOM 11 C LIG 1 -2.413 -4.626 1.101 0.00 0.00 +0.128 A ENDROOT BRANCH 6 12 ATOM 12 C LIG 1 -5.324 0.533 -0.113 0.00 0.00 +0.018 A ATOM 13 C LIG 1 -4.963 1.230 1.052 0.00 0.00 +0.015 A ATOM 14 C LIG 1 -5.054 2.623 1.108 0.00 0.00 +0.046 A ATOM 15 C LIG 1 -5.499 3.329 -0.001 0.00 0.00 +0.117 A ATOM 16 C LIG 1 -5.853 2.666 -1.170 0.00 0.00 +0.046 A ATOM 17 C LIG 1 -5.761 1.271 -1.225 0.00 0.00 +0.015 A BRANCH 15 18 ATOM 18 O LIG 1 -5.572 4.686 0.097 0.00 0.00 -0.507 OA ATOM 19 H LIG 1 -5.896 5.044 -0.745 0.00 0.00 +0.292 HD ENDBRANCH 15 18 ENDBRANCH 6 12 BRANCH 8 20 ATOM 20 O LIG 1 -5.289 -5.994 -0.645 0.00 0.00 -0.506 OA ATOM 21 H LIG 1 -6.064 -5.527 -1.033 0.00 0.00 +0.292 HD ENDBRANCH 8 20 BRANCH 11 22 ATOM 22 O LIG 1 -1.287 -5.098 1.718 0.00 0.00 -0.506 OA ATOM 23 H LIG 1 -1.185 -6.042 1.517 0.00 0.00 +0.292 HD ENDBRANCH 11 22 BRANCH 1 24 ATOM 24 C LIG 1 -1.670 -2.273 1.710 0.00 0.00 +0.127 C BRANCH 24 28 ATOM 25 N LIG 1 1.318 0.064 -0.351 0.00 0.00 -0.296 NA ATOM 26 C LIG 1 0.264 -0.599 -1.144 0.00 0.00 +0.100 C ATOM 27 C LIG 1 -0.938 -1.035 -0.275 0.00 0.00 +0.100 C ATOM 28 N LIG 1 -0.540 -1.934 0.826 0.00 0.00 -0.296 NA ATOM 29 C LIG 1 0.532 -1.285 1.611 0.00 0.00 +0.100 C ATOM 30 C LIG 1 1.730 -0.849 0.738 0.00 0.00 +0.100 C BRANCH 25 31 ATOM 31 C LIG 1 2.466 0.404 -1.214 0.00 0.00 +0.123 C BRANCH 31 35 ATOM 32 C LIG 1 5.257 3.085 0.766 0.00 0.00 +0.165 A ATOM 33 C LIG 1 5.732 1.896 0.176 0.00 0.00 +0.204 A ATOM 34 C LIG 1 4.835 1.021 -0.472 0.00 0.00 +0.170 A ATOM 35 C LIG 1 3.465 1.325 -0.539 0.00 0.00 +0.012 A ATOM 36 C LIG 1 3.019 2.538 0.006 0.00 0.00 +0.012 A ATOM 37 C LIG 1 3.902 3.407 0.650 0.00 0.00 +0.050 A BRANCH 32 39 ATOM 38 C LIG 1 5.657 4.889 2.279 0.00 0.00 +0.277 C ATOM 39 O LIG 1 6.166 3.864 1.436 0.00 0.00 -0.491 OA ENDBRANCH 32 39 BRANCH 33 40 ATOM 40 O LIG 1 7.040 1.482 0.291 0.00 0.00 -0.488 OA ATOM 41 C LIG 1 7.995 2.456 -0.126 0.00 0.00 +0.277 C ENDBRANCH 33 40 BRANCH 34 42 ATOM 42 O LIG 1 5.225 -0.186 -1.005 0.00 0.00 -0.491 OA ATOM 43 C LIG 1 6.262 -0.069 -1.976 0.00 0.00 +0.277 C ENDBRANCH 34 42 ENDBRANCH 31 35 ENDBRANCH 25 31 ENDBRANCH 24 28 ENDBRANCH 1 24 TORSDOF 11