REMARK Name = BDB004867 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.080 1.910 0.359 0.00 0.00 +0.034 A ATOM 2 C LIG 1 -0.999 2.224 -0.478 0.00 0.00 +0.028 A ATOM 3 C LIG 1 -1.859 3.296 -0.189 0.00 0.00 -0.029 A ATOM 4 C LIG 1 -1.631 4.053 0.967 0.00 0.00 +0.005 A ATOM 5 C LIG 1 -0.559 3.748 1.804 0.00 0.00 +0.002 A ATOM 6 C LIG 1 0.292 2.681 1.502 0.00 0.00 +0.023 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 2.024 0.354 0.618 0.00 0.00 +0.248 C ATOM 8 N LIG 1 0.880 0.809 -0.011 0.00 0.00 -0.281 N ATOM 9 H LIG 1 0.612 0.350 -0.872 0.00 0.00 +0.155 HD ATOM 10 O LIG 1 2.594 0.865 1.575 0.00 0.00 -0.270 OA BRANCH 7 15 ATOM 11 C LIG 1 4.612 -2.127 -0.513 0.00 0.00 +0.122 A ATOM 12 N LIG 1 3.847 -3.103 -1.050 0.00 0.00 -0.240 NA ATOM 13 C LIG 1 2.502 -2.983 -1.020 0.00 0.00 +0.113 A ATOM 14 C LIG 1 1.840 -1.896 -0.493 0.00 0.00 +0.033 A ATOM 15 C LIG 1 2.622 -0.870 0.023 0.00 0.00 +0.042 A ATOM 16 C LIG 1 4.014 -0.990 0.021 0.00 0.00 +0.056 A BRANCH 11 17 ATOM 17 N LIG 1 6.006 -2.254 -0.544 0.00 0.00 -0.316 N ATOM 18 C LIG 1 6.495 -3.441 -1.241 0.00 0.00 +0.130 C BRANCH 17 19 ATOM 19 C LIG 1 6.731 -1.900 0.686 0.00 0.00 +0.134 C BRANCH 19 20 ATOM 20 C LIG 1 7.608 -0.661 0.457 0.00 0.00 +0.178 C BRANCH 20 22 ATOM 21 C LIG 1 7.496 0.562 2.490 0.00 0.00 +0.194 C ATOM 22 O LIG 1 8.291 -0.267 1.650 0.00 0.00 -0.381 OA ENDBRANCH 20 22 ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 11 17 ENDBRANCH 7 15 ENDBRANCH 1 8 BRANCH 3 23 ATOM 23 C LIG 1 -3.040 3.596 -1.085 0.00 0.00 +0.138 C BRANCH 23 24 ATOM 24 N LIG 1 -4.234 2.908 -0.605 0.00 0.00 -0.324 N ATOM 25 H LIG 1 -4.217 2.827 0.408 0.00 0.00 +0.148 HD BRANCH 24 26 ATOM 26 C LIG 1 -4.527 1.645 -1.160 0.00 0.00 +0.130 A ATOM 27 C LIG 1 -5.653 0.933 -0.693 0.00 0.00 +0.041 A ATOM 28 C LIG 1 -5.886 -0.320 -1.287 0.00 0.00 +0.088 A ATOM 29 C LIG 1 -6.990 -1.053 -0.829 0.00 0.00 +0.063 A ATOM 30 C LIG 1 -7.849 -0.586 0.178 0.00 0.00 +0.015 A ATOM 31 C LIG 1 -7.621 0.655 0.749 0.00 0.00 +0.002 A ATOM 32 N LIG 1 -5.069 -0.800 -2.240 0.00 0.00 -0.235 NA ATOM 33 C LIG 1 -4.064 -0.023 -2.644 0.00 0.00 +0.223 A ATOM 34 C LIG 1 -6.536 1.410 0.314 0.00 0.00 +0.013 A ATOM 35 N LIG 1 -3.748 1.175 -2.148 0.00 0.00 -0.220 NA BRANCH 29 36 ATOM 36 C LIG 1 -7.305 -2.364 -1.431 0.00 0.00 +0.244 C ATOM 37 O LIG 1 -7.601 -2.493 -2.610 0.00 0.00 -0.270 OA ATOM 38 N LIG 1 -7.292 -3.427 -0.569 0.00 0.00 -0.325 N ATOM 39 H LIG 1 -7.397 -4.343 -0.987 0.00 0.00 +0.145 HD ATOM 40 H LIG 1 -6.871 -3.368 0.348 0.00 0.00 +0.145 HD ENDBRANCH 29 36 ENDBRANCH 24 26 ENDBRANCH 23 24 ENDBRANCH 3 23 TORSDOF 10