REMARK Name = BDB007152 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.322 -2.443 -1.114 0.00 0.00 +0.046 C ATOM 2 C LIG 1 1.063 -1.758 -0.018 0.00 0.00 -0.022 A ATOM 3 C LIG 1 0.539 -0.779 0.882 0.00 0.00 +0.004 A ATOM 4 C LIG 1 1.568 -0.404 1.749 0.00 0.00 +0.050 A ATOM 5 C LIG 1 1.369 0.543 2.769 0.00 0.00 +0.027 A ATOM 6 C LIG 1 0.103 1.120 2.903 0.00 0.00 +0.015 A ATOM 7 C LIG 1 -0.938 0.775 2.040 0.00 0.00 +0.037 A ATOM 8 N LIG 1 2.692 -1.125 1.380 0.00 0.00 -0.339 N ATOM 9 C LIG 1 -0.734 -0.184 1.037 0.00 0.00 +0.023 A ATOM 10 C LIG 1 2.394 -1.958 0.318 0.00 0.00 +0.020 A ATOM 11 C LIG 1 3.397 -2.870 -0.307 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 -2.260 1.431 2.232 0.00 0.00 +0.245 C ATOM 13 N LIG 1 -3.030 1.585 1.100 0.00 0.00 -0.305 N ATOM 14 H LIG 1 -2.625 1.401 0.193 0.00 0.00 +0.150 HD ATOM 15 O LIG 1 -2.600 1.826 3.341 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 -4.317 2.258 1.130 0.00 0.00 +0.100 C ATOM 17 C LIG 1 -4.146 3.779 1.199 0.00 0.00 +0.033 C BRANCH 16 18 ATOM 18 C LIG 1 -5.142 1.789 -0.057 0.00 0.00 -0.027 A ATOM 19 C LIG 1 -6.034 0.712 0.110 0.00 0.00 +0.009 A ATOM 20 C LIG 1 -6.810 0.200 -0.951 0.00 0.00 -0.042 A ATOM 21 C LIG 1 -6.656 0.804 -2.207 0.00 0.00 +0.004 A ATOM 22 C LIG 1 -5.763 1.863 -2.397 0.00 0.00 +0.001 A ATOM 23 C LIG 1 -5.008 2.349 -1.333 0.00 0.00 +0.005 A BRANCH 20 24 ATOM 24 C LIG 1 -7.774 -0.974 -0.704 0.00 0.00 -0.013 C ATOM 25 C LIG 1 -8.814 -0.578 0.366 0.00 0.00 +0.015 C ATOM 26 C LIG 1 -6.979 -2.203 -0.210 0.00 0.00 +0.015 C ATOM 27 C LIG 1 -8.558 -1.413 -1.962 0.00 0.00 +0.015 C ENDBRANCH 20 24 ENDBRANCH 16 18 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 28 ATOM 28 C LIG 1 3.986 -1.053 2.063 0.00 0.00 +0.157 C BRANCH 28 29 ATOM 29 C LIG 1 5.017 -0.273 1.284 0.00 0.00 -0.024 A ATOM 30 C LIG 1 6.267 -0.849 1.002 0.00 0.00 +0.051 A ATOM 31 C LIG 1 7.254 -0.148 0.299 0.00 0.00 +0.122 A ATOM 32 C LIG 1 7.000 1.161 -0.099 0.00 0.00 +0.046 A ATOM 33 C LIG 1 5.767 1.754 0.184 0.00 0.00 +0.004 A ATOM 34 C LIG 1 4.782 1.044 0.870 0.00 0.00 +0.005 A BRANCH 31 35 ATOM 35 O LIG 1 8.403 -0.856 0.099 0.00 0.00 -0.478 OA BRANCH 35 36 ATOM 36 C LIG 1 9.361 -0.470 -0.884 0.00 0.00 +0.278 C ATOM 37 C LIG 1 8.762 -0.475 -2.294 0.00 0.00 +0.064 C BRANCH 36 38 ATOM 38 C LIG 1 10.228 0.771 -0.592 0.00 0.00 +0.346 C ATOM 39 O LIG 1 10.106 1.508 0.376 0.00 0.00 -0.247 OA BRANCH 38 40 ATOM 40 O LIG 1 11.213 0.979 -1.502 0.00 0.00 -0.478 OA ATOM 41 H LIG 1 11.291 0.300 -2.198 0.00 0.00 +0.295 HD ENDBRANCH 38 40 ENDBRANCH 36 38 ENDBRANCH 35 36 ENDBRANCH 31 35 ENDBRANCH 28 29 ENDBRANCH 8 28 TORSDOF 10