REMARK Name = BDB038980 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.307 0.995 0.242 0.00 0.00 +0.403 C ATOM 2 N LIG 1 5.310 0.181 0.750 0.00 0.00 -0.263 N ATOM 3 C LIG 1 3.933 0.621 0.564 0.00 0.00 +0.148 C ATOM 4 C LIG 1 2.889 -0.418 0.888 0.00 0.00 +0.001 A ATOM 5 C LIG 1 3.235 -1.690 1.401 0.00 0.00 -0.039 A ATOM 6 C LIG 1 2.245 -2.643 1.681 0.00 0.00 +0.006 A ATOM 7 C LIG 1 0.888 -2.367 1.492 0.00 0.00 +0.028 A ATOM 8 C LIG 1 0.555 -1.100 1.000 0.00 0.00 +0.071 A ATOM 9 N LIG 1 -0.645 -0.484 0.694 0.00 0.00 -0.309 N ATOM 10 C LIG 1 -0.357 0.788 0.246 0.00 0.00 +0.199 A ATOM 11 N LIG 1 0.935 1.013 0.246 0.00 0.00 -0.214 NA ATOM 12 C LIG 1 4.688 -2.045 1.593 0.00 0.00 +0.054 C ATOM 13 C LIG 1 1.519 -0.140 0.704 0.00 0.00 +0.096 A ATOM 14 C LIG 1 5.551 -0.803 1.798 0.00 0.00 +0.116 C ATOM 15 O LIG 1 6.100 1.968 -0.474 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 N LIG 1 -1.332 1.658 -0.139 0.00 0.00 -0.301 N ATOM 17 C LIG 1 -1.355 1.904 -1.602 0.00 0.00 +0.109 C ATOM 18 C LIG 1 -0.892 3.315 -1.954 0.00 0.00 +0.033 C ATOM 19 C LIG 1 -1.793 4.368 -1.294 0.00 0.00 +0.101 C ATOM 20 C LIG 1 -2.292 3.918 0.085 0.00 0.00 +0.033 C ATOM 21 C LIG 1 -1.360 2.880 0.692 0.00 0.00 +0.109 C BRANCH 19 22 ATOM 22 C LIG 1 -2.980 4.690 -2.172 0.00 0.00 +0.308 C ATOM 23 O LIG 1 -3.393 4.046 -3.121 0.00 0.00 -0.251 OA BRANCH 22 24 ATOM 24 O LIG 1 -3.600 5.826 -1.796 0.00 0.00 -0.480 OA ATOM 25 H LIG 1 -4.336 5.920 -2.437 0.00 0.00 +0.295 HD ENDBRANCH 22 24 ENDBRANCH 19 22 ENDBRANCH 10 16 BRANCH 1 27 ATOM 26 C LIG 1 8.608 1.411 0.110 0.00 0.00 +0.282 C ATOM 27 O LIG 1 7.553 0.597 0.622 0.00 0.00 -0.454 OA ENDBRANCH 1 27 BRANCH 9 28 ATOM 28 C LIG 1 -1.968 -1.096 0.833 0.00 0.00 +0.092 C ATOM 29 C LIG 1 -2.787 -0.420 1.938 0.00 0.00 +0.031 C BRANCH 28 30 ATOM 30 C LIG 1 -2.716 -1.173 -0.513 0.00 0.00 +0.060 C BRANCH 30 31 ATOM 31 C LIG 1 -3.742 -2.290 -0.560 0.00 0.00 -0.043 A ATOM 32 C LIG 1 -3.401 -3.610 -0.925 0.00 0.00 -0.047 A ATOM 33 C LIG 1 -2.006 -3.988 -1.345 0.00 0.00 +0.044 C ATOM 34 C LIG 1 -4.401 -4.596 -0.934 0.00 0.00 +0.003 A ATOM 35 C LIG 1 -5.715 -4.290 -0.581 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -6.051 -2.990 -0.220 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -5.072 -1.997 -0.211 0.00 0.00 +0.004 A ENDBRANCH 30 31 ENDBRANCH 28 30 ENDBRANCH 9 28 TORSDOF 7