REMARK Name = BDB046670 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.205 -0.659 -0.211 0.00 0.00 +0.121 A ATOM 2 C LIG 1 0.311 -0.727 1.178 0.00 0.00 +0.046 A ATOM 3 C LIG 1 1.510 -0.410 1.820 0.00 0.00 +0.007 A ATOM 4 C LIG 1 2.635 -0.024 1.080 0.00 0.00 -0.043 A ATOM 5 C LIG 1 2.518 0.057 -0.314 0.00 0.00 +0.007 A ATOM 6 C LIG 1 1.315 -0.264 -0.955 0.00 0.00 +0.046 A ENDROOT BRANCH 1 7 ATOM 7 O LIG 1 -1.021 -1.000 -0.707 0.00 0.00 -0.492 OA BRANCH 7 8 ATOM 8 C LIG 1 -1.196 -0.931 -2.123 0.00 0.00 +0.235 C BRANCH 8 9 ATOM 9 C LIG 1 -2.624 -1.345 -2.479 0.00 0.00 +0.100 C BRANCH 9 12 ATOM 10 C LIG 1 -3.271 1.768 -3.630 0.00 0.00 +0.088 C ATOM 11 C LIG 1 -3.882 0.928 -2.588 0.00 0.00 +0.125 A ATOM 12 C LIG 1 -3.648 -0.336 -2.086 0.00 0.00 +0.086 A ATOM 13 N LIG 1 -4.569 -0.612 -1.101 0.00 0.00 -0.218 NA ATOM 14 C LIG 1 -5.297 0.483 -1.023 0.00 0.00 +0.199 A ATOM 15 O LIG 1 -4.936 1.465 -1.904 0.00 0.00 -0.444 OA BRANCH 14 16 ATOM 16 C LIG 1 -6.433 0.795 -0.107 0.00 0.00 +0.075 C ATOM 17 C LIG 1 -7.380 -0.401 0.037 0.00 0.00 +0.013 C ATOM 18 C LIG 1 -8.603 -0.059 0.892 0.00 0.00 +0.001 C ATOM 19 C LIG 1 -8.327 1.002 1.958 0.00 0.00 +0.000 C ATOM 20 C LIG 1 -6.876 0.979 2.417 0.00 0.00 +0.001 C ATOM 21 C LIG 1 -5.908 1.259 1.264 0.00 0.00 +0.013 C ENDBRANCH 14 16 ENDBRANCH 9 12 ENDBRANCH 8 9 ENDBRANCH 7 8 ENDBRANCH 1 7 BRANCH 4 22 ATOM 22 C LIG 1 3.924 0.332 1.794 0.00 0.00 +0.094 C BRANCH 22 23 ATOM 23 C LIG 1 5.226 -0.401 1.336 0.00 0.00 +0.207 C ATOM 24 C LIG 1 6.300 -0.132 2.415 0.00 0.00 +0.068 C BRANCH 23 25 ATOM 25 C LIG 1 4.916 -1.919 1.224 0.00 0.00 +0.349 C ATOM 26 O LIG 1 4.934 -2.560 0.183 0.00 0.00 -0.246 OA BRANCH 25 27 ATOM 27 O LIG 1 4.624 -2.531 2.400 0.00 0.00 -0.478 OA ATOM 28 H LIG 1 4.569 -1.956 3.184 0.00 0.00 +0.295 HD ENDBRANCH 25 27 ENDBRANCH 23 25 BRANCH 23 29 ATOM 29 O LIG 1 5.601 0.257 0.116 0.00 0.00 -0.474 OA BRANCH 29 30 ATOM 30 C LIG 1 6.793 0.053 -0.511 0.00 0.00 +0.122 A ATOM 31 C LIG 1 7.623 -1.057 -0.391 0.00 0.00 +0.046 A ATOM 32 C LIG 1 8.823 -1.123 -1.108 0.00 0.00 +0.004 A ATOM 33 C LIG 1 9.195 -0.081 -1.954 0.00 0.00 +0.000 A ATOM 34 C LIG 1 8.363 1.025 -2.094 0.00 0.00 +0.004 A ATOM 35 C LIG 1 7.165 1.086 -1.378 0.00 0.00 +0.046 A ENDBRANCH 29 30 ENDBRANCH 23 29 ENDBRANCH 22 23 ENDBRANCH 4 22 TORSDOF 11