REMARK Name = BDB056026 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.407 -0.361 0.640 0.00 0.00 +0.121 A ATOM 2 N LIG 1 0.867 -1.611 0.744 0.00 0.00 -0.263 N ATOM 3 H LIG 1 1.351 -2.489 0.882 0.00 0.00 +0.190 HD ATOM 4 N LIG 1 -0.469 -1.646 0.643 0.00 0.00 -0.172 NA ATOM 5 C LIG 1 -0.827 -0.360 0.471 0.00 0.00 +0.094 A ATOM 6 C LIG 1 0.328 0.473 0.458 0.00 0.00 +0.073 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -2.234 0.034 0.324 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -3.228 -0.934 0.129 0.00 0.00 +0.012 A ATOM 9 C LIG 1 -4.572 -0.567 -0.010 0.00 0.00 +0.024 A ATOM 10 C LIG 1 -4.954 0.777 0.047 0.00 0.00 +0.035 A ATOM 11 C LIG 1 -3.971 1.745 0.242 0.00 0.00 +0.024 A ATOM 12 C LIG 1 -2.624 1.378 0.379 0.00 0.00 +0.012 A BRANCH 10 13 ATOM 13 N LIG 1 -6.325 1.059 -0.096 0.00 0.00 -0.269 N ATOM 14 H LIG 1 -6.938 0.263 -0.240 0.00 0.00 +0.156 HD ATOM 15 C LIG 1 -6.955 2.272 -0.063 0.00 0.00 +0.309 C ATOM 16 N LIG 1 -8.315 2.264 -0.218 0.00 0.00 -0.251 N ATOM 17 H LIG 1 -8.726 3.184 -0.173 0.00 0.00 +0.158 HD ATOM 18 O LIG 1 -6.417 3.367 0.097 0.00 0.00 -0.252 OA BRANCH 16 19 ATOM 19 C LIG 1 -9.160 1.195 -0.426 0.00 0.00 +0.169 A ATOM 20 N LIG 1 -8.777 -0.083 -0.528 0.00 0.00 -0.063 NA ATOM 21 O LIG 1 -9.928 -0.813 -0.742 0.00 0.00 -0.357 OA ATOM 22 C LIG 1 -11.005 0.021 -0.760 0.00 0.00 +0.144 A ATOM 23 C LIG 1 -10.562 1.308 -0.564 0.00 0.00 +0.092 A BRANCH 22 24 ATOM 24 C LIG 1 -12.347 -0.621 -0.982 0.00 0.00 +0.023 C ATOM 25 C LIG 1 -12.588 -1.713 0.077 0.00 0.00 +0.019 C ATOM 26 C LIG 1 -13.478 0.419 -0.873 0.00 0.00 +0.019 C ATOM 27 C LIG 1 -12.393 -1.250 -2.384 0.00 0.00 +0.019 C ENDBRANCH 22 24 ENDBRANCH 16 19 ENDBRANCH 10 13 ENDBRANCH 5 7 BRANCH 1 29 ATOM 28 C LIG 1 3.333 1.113 0.549 0.00 0.00 +0.249 C ATOM 29 N LIG 1 2.768 -0.141 0.722 0.00 0.00 -0.267 N ATOM 30 H LIG 1 3.382 -0.936 0.847 0.00 0.00 +0.157 HD ATOM 31 O LIG 1 2.745 2.148 0.259 0.00 0.00 -0.270 OA BRANCH 28 35 ATOM 32 C LIG 1 7.613 1.254 0.893 0.00 0.00 -0.033 A ATOM 33 C LIG 1 6.865 0.450 1.768 0.00 0.00 +0.005 A ATOM 34 C LIG 1 5.473 0.397 1.673 0.00 0.00 +0.013 A ATOM 35 C LIG 1 4.813 1.151 0.695 0.00 0.00 +0.037 A ATOM 36 C LIG 1 5.548 1.976 -0.163 0.00 0.00 +0.013 A ATOM 37 C LIG 1 6.940 2.024 -0.067 0.00 0.00 +0.005 A BRANCH 32 38 ATOM 38 C LIG 1 9.123 1.309 1.007 0.00 0.00 +0.119 C BRANCH 38 43 ATOM 39 C LIG 1 12.643 -1.166 -1.237 0.00 0.00 +0.105 C ATOM 40 N LIG 1 11.806 -1.875 -0.273 0.00 0.00 -0.303 NA ATOM 41 C LIG 1 10.388 -1.882 -0.684 0.00 0.00 +0.099 C ATOM 42 C LIG 1 9.648 -0.535 -0.507 0.00 0.00 +0.100 C ATOM 43 N LIG 1 9.758 -0.011 0.870 0.00 0.00 -0.296 NA ATOM 44 C LIG 1 11.178 0.058 1.266 0.00 0.00 +0.100 C ATOM 45 C LIG 1 11.913 -1.290 1.077 0.00 0.00 +0.099 C ENDBRANCH 38 43 ENDBRANCH 32 38 ENDBRANCH 28 35 ENDBRANCH 1 29 TORSDOF 8