REMARK Name = BDB006431 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.208 -3.471 1.402 0.00 0.00 +0.046 C ATOM 2 C LIG 1 -0.544 -2.323 0.513 0.00 0.00 -0.022 A ATOM 3 C LIG 1 0.193 -1.106 0.378 0.00 0.00 +0.004 A ATOM 4 C LIG 1 -0.478 -0.303 -0.547 0.00 0.00 +0.050 A ATOM 5 C LIG 1 -0.015 0.980 -0.889 0.00 0.00 +0.027 A ATOM 6 C LIG 1 1.158 1.444 -0.288 0.00 0.00 +0.015 A ATOM 7 C LIG 1 1.860 0.655 0.623 0.00 0.00 +0.037 A ATOM 8 N LIG 1 -1.591 -1.013 -0.968 0.00 0.00 -0.339 N ATOM 9 C LIG 1 1.377 -0.615 0.973 0.00 0.00 +0.023 A ATOM 10 C LIG 1 -1.635 -2.244 -0.340 0.00 0.00 +0.020 A ATOM 11 C LIG 1 -2.718 -3.241 -0.582 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 3.107 1.205 1.221 0.00 0.00 +0.245 C ATOM 13 N LIG 1 4.067 0.279 1.578 0.00 0.00 -0.305 N ATOM 14 H LIG 1 3.984 -0.650 1.190 0.00 0.00 +0.150 HD ATOM 15 O LIG 1 3.249 2.417 1.343 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 5.399 0.693 1.989 0.00 0.00 +0.100 C ATOM 17 C LIG 1 5.878 -0.181 3.149 0.00 0.00 +0.033 C BRANCH 16 18 ATOM 18 C LIG 1 6.325 0.685 0.782 0.00 0.00 -0.027 A ATOM 19 C LIG 1 6.462 1.856 0.021 0.00 0.00 +0.009 A ATOM 20 C LIG 1 7.281 1.883 -1.110 0.00 0.00 +0.046 A ATOM 21 C LIG 1 7.975 0.742 -1.517 0.00 0.00 +0.130 A ATOM 22 C LIG 1 7.835 -0.432 -0.777 0.00 0.00 +0.046 A ATOM 23 C LIG 1 7.012 -0.461 0.357 0.00 0.00 +0.009 A BRANCH 21 24 ATOM 24 O LIG 1 8.736 0.912 -2.637 0.00 0.00 -0.406 OA BRANCH 24 25 ATOM 25 C LIG 1 9.465 -0.204 -3.116 0.00 0.00 +0.575 C ATOM 26 F LIG 1 10.147 0.166 -4.223 0.00 0.00 -0.133 F ATOM 27 F LIG 1 8.640 -1.218 -3.453 0.00 0.00 -0.133 F ATOM 28 F LIG 1 10.358 -0.635 -2.200 0.00 0.00 -0.133 F ENDBRANCH 24 25 ENDBRANCH 21 24 ENDBRANCH 16 18 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 29 ATOM 29 C LIG 1 -2.547 -0.540 -1.971 0.00 0.00 +0.157 C BRANCH 29 30 ATOM 30 C LIG 1 -3.865 -0.102 -1.377 0.00 0.00 -0.028 A ATOM 31 C LIG 1 -5.067 -0.583 -1.912 0.00 0.00 +0.006 A ATOM 32 C LIG 1 -6.298 -0.169 -1.391 0.00 0.00 +0.009 A ATOM 33 C LIG 1 -6.365 0.743 -0.327 0.00 0.00 -0.018 A ATOM 34 C LIG 1 -5.158 1.230 0.196 0.00 0.00 +0.009 A ATOM 35 C LIG 1 -3.926 0.820 -0.324 0.00 0.00 +0.006 A BRANCH 33 36 ATOM 36 C LIG 1 -7.661 1.174 0.224 0.00 0.00 -0.018 A ATOM 37 C LIG 1 -8.663 1.701 -0.608 0.00 0.00 +0.008 A ATOM 38 C LIG 1 -9.893 2.111 -0.086 0.00 0.00 +0.001 A ATOM 39 C LIG 1 -10.142 2.000 1.280 0.00 0.00 +0.000 A ATOM 40 C LIG 1 -9.163 1.480 2.123 0.00 0.00 +0.001 A ATOM 41 C LIG 1 -7.933 1.072 1.599 0.00 0.00 +0.008 A ENDBRANCH 33 36 ENDBRANCH 29 30 ENDBRANCH 8 29 TORSDOF 8