REMARK Name = BDB043577 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.297 -0.567 -0.539 0.00 0.00 +0.159 C ATOM 2 C LIG 1 -0.525 -1.884 -0.541 0.00 0.00 +0.234 C ATOM 3 O LIG 1 0.047 -2.969 -0.740 0.00 0.00 -0.274 OA ATOM 4 N LIG 1 -1.864 -1.948 -0.296 0.00 0.00 -0.308 N ATOM 5 H LIG 1 -2.164 -2.912 -0.205 0.00 0.00 +0.149 HD ATOM 6 C LIG 1 -2.895 -0.907 -0.132 0.00 0.00 +0.107 C ATOM 7 C LIG 1 -2.945 -0.341 1.321 0.00 0.00 +0.194 C ATOM 8 C LIG 1 -3.848 0.932 1.573 0.00 0.00 +0.198 C ATOM 9 O LIG 1 -5.166 0.470 1.965 0.00 0.00 -0.344 OA ATOM 10 C LIG 1 -5.468 1.169 3.174 0.00 0.00 +0.191 C ATOM 11 C LIG 1 -4.122 1.316 3.816 0.00 0.00 +0.191 C ATOM 12 O LIG 1 -3.274 1.637 2.709 0.00 0.00 -0.344 OA ATOM 13 C LIG 1 -4.047 1.898 0.371 0.00 0.00 +0.069 C ATOM 14 C LIG 1 -3.830 3.397 0.635 0.00 0.00 +0.024 C ATOM 15 C LIG 1 -2.370 3.847 0.485 0.00 0.00 +0.104 C ATOM 16 N LIG 1 -1.939 3.798 -0.909 0.00 0.00 -0.315 N ATOM 17 H LIG 1 -2.379 4.447 -1.556 0.00 0.00 +0.149 HD ATOM 18 C LIG 1 -1.190 2.858 -1.562 0.00 0.00 +0.213 C ATOM 19 O LIG 1 -1.118 2.903 -2.788 0.00 0.00 -0.276 OA ATOM 20 C LIG 1 -0.454 1.830 -0.737 0.00 0.00 +0.098 C ATOM 21 C LIG 1 -0.154 0.535 -1.507 0.00 0.00 +0.041 C ENDROOT BRANCH 1 23 ATOM 22 C LIG 1 2.760 -0.328 -0.246 0.00 0.00 +0.234 C ATOM 23 N LIG 1 1.686 -0.942 -0.849 0.00 0.00 -0.302 N ATOM 24 H LIG 1 1.802 -1.824 -1.339 0.00 0.00 +0.150 HD ATOM 25 O LIG 1 2.623 0.610 0.541 0.00 0.00 -0.274 OA BRANCH 22 26 ATOM 26 C LIG 1 4.145 -0.893 -0.643 0.00 0.00 +0.166 C BRANCH 26 28 ATOM 27 C LIG 1 5.620 1.071 -0.703 0.00 0.00 +0.401 C ATOM 28 N LIG 1 5.180 -0.046 -0.062 0.00 0.00 -0.269 N ATOM 29 H LIG 1 5.148 0.073 0.945 0.00 0.00 +0.153 HD ATOM 30 O LIG 1 5.468 1.305 -1.891 0.00 0.00 -0.226 OA BRANCH 27 31 ATOM 31 O LIG 1 6.236 1.866 0.199 0.00 0.00 -0.445 OA BRANCH 31 33 ATOM 32 C LIG 1 7.889 3.007 -1.227 0.00 0.00 +0.055 C ATOM 33 C LIG 1 6.771 3.156 -0.188 0.00 0.00 +0.107 C ATOM 34 C LIG 1 5.663 4.100 -0.668 0.00 0.00 +0.055 C ATOM 35 C LIG 1 7.378 3.722 1.105 0.00 0.00 +0.055 C ENDBRANCH 31 33 ENDBRANCH 27 31 ENDBRANCH 26 28 BRANCH 26 36 ATOM 36 C LIG 1 4.324 -2.372 -0.247 0.00 0.00 +0.067 C BRANCH 36 37 ATOM 37 C LIG 1 4.365 -2.635 1.245 0.00 0.00 -0.045 A ATOM 38 C LIG 1 5.595 -2.691 1.917 0.00 0.00 +0.004 A ATOM 39 C LIG 1 5.641 -2.881 3.297 0.00 0.00 +0.000 A ATOM 40 C LIG 1 4.458 -3.026 4.021 0.00 0.00 +0.000 A ATOM 41 C LIG 1 3.230 -2.985 3.362 0.00 0.00 +0.000 A ATOM 42 C LIG 1 3.183 -2.790 1.981 0.00 0.00 +0.004 A ENDBRANCH 36 37 ENDBRANCH 26 36 ENDBRANCH 22 26 ENDBRANCH 1 23 BRANCH 7 43 ATOM 43 O LIG 1 -1.606 -0.048 1.761 0.00 0.00 -0.385 OA ATOM 44 H LIG 1 -1.700 0.500 2.565 0.00 0.00 +0.210 HD ENDBRANCH 7 43 BRANCH 6 45 ATOM 45 C LIG 1 -4.273 -1.464 -0.562 0.00 0.00 +0.028 C BRANCH 45 46 ATOM 46 C LIG 1 -4.528 -1.522 -2.094 0.00 0.00 -0.009 C ATOM 47 C LIG 1 -3.582 -2.433 -2.888 0.00 0.00 +0.003 C ATOM 48 C LIG 1 -3.740 -3.917 -2.553 0.00 0.00 +0.000 C ATOM 49 C LIG 1 -5.175 -4.319 -2.214 0.00 0.00 +0.000 C ATOM 50 C LIG 1 -6.195 -3.373 -2.831 0.00 0.00 +0.000 C ATOM 51 C LIG 1 -5.998 -1.921 -2.380 0.00 0.00 +0.003 C ENDBRANCH 45 46 ENDBRANCH 6 45 TORSDOF 10