REMARK Name = BDB050771 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.603 -0.263 0.532 0.00 0.00 +0.019 A ATOM 2 C LIG 1 0.472 -0.362 -0.294 0.00 0.00 +0.034 A ATOM 3 C LIG 1 -0.816 -0.073 0.190 0.00 0.00 +0.032 A ATOM 4 C LIG 1 -0.962 0.266 1.539 0.00 0.00 +0.023 A ATOM 5 C LIG 1 0.153 0.382 2.369 0.00 0.00 +0.002 A ATOM 6 C LIG 1 1.427 0.128 1.865 0.00 0.00 +0.011 A ENDROOT BRANCH 1 12 ATOM 7 C LIG 1 6.503 -0.450 -0.121 0.00 0.00 +0.064 A ATOM 8 C LIG 1 5.106 -0.618 -0.208 0.00 0.00 +0.102 A ATOM 9 C LIG 1 4.587 -1.452 -1.192 0.00 0.00 +0.067 A ATOM 10 N LIG 1 3.230 -1.398 -1.007 0.00 0.00 -0.338 N ATOM 11 H LIG 1 2.546 -1.917 -1.536 0.00 0.00 +0.167 HD ATOM 12 C LIG 1 2.954 -0.552 0.043 0.00 0.00 +0.139 A ATOM 13 C LIG 1 5.378 -2.149 -2.110 0.00 0.00 +0.028 A ATOM 14 C LIG 1 6.761 -1.974 -2.012 0.00 0.00 +0.003 A ATOM 15 N LIG 1 4.080 -0.081 0.548 0.00 0.00 -0.227 NA ATOM 16 C LIG 1 7.318 -1.140 -1.038 0.00 0.00 +0.015 A BRANCH 7 20 ATOM 17 N LIG 1 6.303 1.084 1.757 0.00 0.00 -0.325 N ATOM 18 H LIG 1 5.292 0.982 1.696 0.00 0.00 +0.145 HD ATOM 19 H LIG 1 6.704 1.693 2.455 0.00 0.00 +0.145 HD ATOM 20 C LIG 1 7.131 0.425 0.896 0.00 0.00 +0.244 C ATOM 21 O LIG 1 8.348 0.557 0.964 0.00 0.00 -0.270 OA ENDBRANCH 7 20 ENDBRANCH 1 12 BRANCH 3 22 ATOM 22 N LIG 1 -1.923 -0.248 -0.681 0.00 0.00 -0.313 N ATOM 23 H LIG 1 -1.674 0.037 -1.626 0.00 0.00 +0.152 HD BRANCH 22 24 ATOM 24 C LIG 1 -3.266 0.157 -0.392 0.00 0.00 +0.050 A ATOM 25 C LIG 1 -3.708 1.468 -0.714 0.00 0.00 +0.022 A ATOM 26 C LIG 1 -5.039 1.788 -0.386 0.00 0.00 +0.073 A ATOM 27 C LIG 1 -5.520 3.055 -0.692 0.00 0.00 +0.028 A ATOM 28 C LIG 1 -4.722 4.023 -1.304 0.00 0.00 +0.002 A ATOM 29 C LIG 1 -3.405 3.726 -1.619 0.00 0.00 +0.001 A ATOM 30 N LIG 1 -5.873 0.929 0.216 0.00 0.00 -0.247 NA ATOM 31 C LIG 1 -5.441 -0.298 0.541 0.00 0.00 +0.073 A ATOM 32 C LIG 1 -6.327 -1.159 1.178 0.00 0.00 +0.028 A ATOM 33 C LIG 1 -5.962 -2.455 1.550 0.00 0.00 +0.002 A ATOM 34 C LIG 1 -4.680 -2.910 1.280 0.00 0.00 +0.001 A ATOM 35 C LIG 1 -3.775 -2.065 0.640 0.00 0.00 +0.012 A ATOM 36 C LIG 1 -2.900 2.460 -1.325 0.00 0.00 +0.012 A ATOM 37 C LIG 1 -4.139 -0.748 0.265 0.00 0.00 +0.022 A ENDBRANCH 22 24 ENDBRANCH 3 22 TORSDOF 4