REMARK Name = BDB039253 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.004 5.447 -1.228 0.00 0.00 +0.403 C ATOM 2 N LIG 1 -2.539 4.218 -0.882 0.00 0.00 -0.263 N ATOM 3 C LIG 1 -1.626 3.083 -0.856 0.00 0.00 +0.148 C ATOM 4 C LIG 1 -2.188 1.833 -0.229 0.00 0.00 +0.001 A ATOM 5 C LIG 1 -3.525 1.760 0.222 0.00 0.00 -0.039 A ATOM 6 C LIG 1 -4.017 0.589 0.813 0.00 0.00 +0.006 A ATOM 7 C LIG 1 -3.220 -0.552 0.952 0.00 0.00 +0.028 A ATOM 8 C LIG 1 -1.902 -0.478 0.487 0.00 0.00 +0.071 A ATOM 9 N LIG 1 -0.853 -1.377 0.438 0.00 0.00 -0.309 N ATOM 10 C LIG 1 0.240 -0.714 -0.090 0.00 0.00 +0.200 A ATOM 11 N LIG 1 -0.079 0.504 -0.456 0.00 0.00 -0.214 NA ATOM 12 C LIG 1 -4.411 2.977 0.124 0.00 0.00 +0.054 C ATOM 13 C LIG 1 -1.387 0.680 -0.088 0.00 0.00 +0.096 A ATOM 14 C LIG 1 -3.961 3.918 -0.990 0.00 0.00 +0.116 C ATOM 15 O LIG 1 -0.804 5.657 -1.364 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 N LIG 1 1.469 -1.297 -0.214 0.00 0.00 -0.298 N ATOM 17 C LIG 1 2.277 -0.761 -1.340 0.00 0.00 +0.127 C ATOM 18 C LIG 1 3.211 0.375 -0.892 0.00 0.00 +0.127 C ATOM 19 N LIG 1 4.119 -0.044 0.185 0.00 0.00 -0.298 N ATOM 20 C LIG 1 5.257 0.659 0.573 0.00 0.00 +0.223 C ATOM 21 O LIG 1 6.000 0.211 1.455 0.00 0.00 -0.275 OA ATOM 22 C LIG 1 3.746 -1.274 0.892 0.00 0.00 +0.127 C ATOM 23 C LIG 1 2.223 -1.397 1.071 0.00 0.00 +0.127 C BRANCH 20 24 ATOM 24 C LIG 1 5.546 1.990 -0.145 0.00 0.00 +0.126 C ATOM 25 C LIG 1 4.667 3.201 0.188 0.00 0.00 +0.174 C ATOM 26 O LIG 1 5.834 4.051 0.322 0.00 0.00 -0.378 OA ATOM 27 C LIG 1 6.673 2.871 0.415 0.00 0.00 +0.174 C ENDBRANCH 20 24 ENDBRANCH 10 16 BRANCH 1 29 ATOM 28 C LIG 1 -2.439 7.689 -1.747 0.00 0.00 +0.282 C ATOM 29 O LIG 1 -2.957 6.404 -1.401 0.00 0.00 -0.454 OA ENDBRANCH 1 29 BRANCH 9 30 ATOM 30 C LIG 1 -0.897 -2.799 0.788 0.00 0.00 +0.092 C ATOM 31 C LIG 1 -1.105 -2.998 2.293 0.00 0.00 +0.031 C BRANCH 30 32 ATOM 32 C LIG 1 -1.915 -3.567 -0.080 0.00 0.00 +0.060 C BRANCH 32 33 ATOM 33 C LIG 1 -1.727 -5.066 -0.032 0.00 0.00 -0.045 A ATOM 34 C LIG 1 -0.679 -5.671 -0.740 0.00 0.00 +0.004 A ATOM 35 C LIG 1 -0.495 -7.053 -0.686 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -1.354 -7.842 0.076 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -2.399 -7.251 0.783 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -2.586 -5.869 0.730 0.00 0.00 +0.004 A ENDBRANCH 32 33 ENDBRANCH 30 32 ENDBRANCH 9 30 TORSDOF 6