REMARK Name = BDB056375 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.891 -2.826 -0.286 0.00 0.00 +0.175 A ATOM 2 O LIG 1 -3.974 -2.930 -1.640 0.00 0.00 -0.354 OA ATOM 3 N LIG 1 -2.903 -2.282 -2.224 0.00 0.00 -0.073 NA ATOM 4 C LIG 1 -2.159 -1.796 -1.215 0.00 0.00 +0.168 A ATOM 5 C LIG 1 -2.748 -2.135 0.035 0.00 0.00 +0.086 A ENDROOT BRANCH 1 7 ATOM 6 C LIG 1 -6.318 -3.217 0.161 0.00 0.00 +0.146 A ATOM 7 C LIG 1 -4.965 -3.449 0.473 0.00 0.00 +0.104 A ATOM 8 C LIG 1 -4.680 -4.321 1.540 0.00 0.00 +0.135 A ATOM 9 C LIG 1 -5.701 -4.969 2.245 0.00 0.00 +0.091 A ATOM 10 C LIG 1 -7.024 -4.750 1.878 0.00 0.00 +0.124 A ATOM 11 C LIG 1 -7.342 -3.887 0.839 0.00 0.00 +0.092 A BRANCH 8 12 ATOM 12 O LIG 1 -3.375 -4.554 1.895 0.00 0.00 -0.506 OA ATOM 13 H LIG 1 -3.342 -5.288 2.531 0.00 0.00 +0.292 HD ENDBRANCH 8 12 BRANCH 10 14 ATOM 14 O LIG 1 -8.055 -5.364 2.526 0.00 0.00 -0.507 OA ATOM 15 H LIG 1 -7.705 -5.930 3.233 0.00 0.00 +0.292 HD ENDBRANCH 10 14 BRANCH 6 16 ATOM 16 O LIG 1 -6.710 -2.355 -0.843 0.00 0.00 -0.455 OA BRANCH 16 20 ATOM 17 C LIG 1 -6.097 1.785 -0.249 0.00 0.00 +0.029 A ATOM 18 C LIG 1 -6.632 0.979 0.773 0.00 0.00 +0.027 A ATOM 19 C LIG 1 -6.844 -0.399 0.610 0.00 0.00 +0.048 A ATOM 20 C LIG 1 -6.525 -1.012 -0.596 0.00 0.00 +0.129 A ATOM 21 C LIG 1 -6.036 -0.241 -1.642 0.00 0.00 +0.048 A ATOM 22 C LIG 1 -5.821 1.132 -1.464 0.00 0.00 +0.027 A BRANCH 17 24 ATOM 23 C LIG 1 -4.932 3.827 -0.967 0.00 0.00 +0.129 C ATOM 24 N LIG 1 -5.895 3.162 -0.089 0.00 0.00 -0.336 N ATOM 25 C LIG 1 -6.069 3.766 1.228 0.00 0.00 +0.129 C ENDBRANCH 17 24 ENDBRANCH 16 20 ENDBRANCH 6 16 ENDBRANCH 1 7 BRANCH 4 26 ATOM 26 C LIG 1 -0.932 -1.033 -1.481 0.00 0.00 +0.266 C ATOM 27 N LIG 1 -0.094 -0.876 -0.385 0.00 0.00 -0.307 N ATOM 28 H LIG 1 -0.257 -1.462 0.421 0.00 0.00 +0.149 HD ATOM 29 O LIG 1 -0.649 -0.580 -2.587 0.00 0.00 -0.268 OA BRANCH 27 30 ATOM 30 C LIG 1 1.213 -0.241 -0.515 0.00 0.00 +0.076 C ATOM 31 C LIG 1 1.696 0.294 0.843 0.00 0.00 +0.037 C ATOM 32 C LIG 1 3.222 0.259 0.991 0.00 0.00 +0.086 C ATOM 33 N LIG 1 3.853 0.558 -0.291 0.00 0.00 -0.299 NA ATOM 34 C LIG 1 3.597 -0.494 -1.289 0.00 0.00 +0.086 C ATOM 35 C LIG 1 2.246 -1.198 -1.109 0.00 0.00 +0.037 C BRANCH 33 36 ATOM 36 C LIG 1 5.278 0.933 -0.234 0.00 0.00 +0.057 C ATOM 37 C LIG 1 5.420 2.411 0.195 0.00 0.00 +0.024 C ATOM 38 C LIG 1 6.803 2.755 0.758 0.00 0.00 +0.066 C ATOM 39 C LIG 1 7.910 1.863 0.201 0.00 0.00 +0.170 C ATOM 40 O LIG 1 9.165 2.260 0.778 0.00 0.00 -0.346 OA ATOM 41 C LIG 1 10.057 2.378 -0.329 0.00 0.00 +0.191 C ATOM 42 C LIG 1 9.155 2.795 -1.456 0.00 0.00 +0.191 C ATOM 43 O LIG 1 7.976 2.025 -1.229 0.00 0.00 -0.346 OA ATOM 44 C LIG 1 7.652 0.384 0.523 0.00 0.00 +0.066 C ATOM 45 C LIG 1 6.163 0.024 0.633 0.00 0.00 +0.024 C ENDBRANCH 33 36 ENDBRANCH 27 30 ENDBRANCH 4 26 TORSDOF 9