REMARK Name = BDB056708 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.565 0.001 0.317 0.00 0.00 +0.234 C ATOM 2 N LIG 1 1.413 -0.562 -0.628 0.00 0.00 -0.268 N ATOM 3 C LIG 1 2.816 -0.611 -0.535 0.00 0.00 +0.058 A ATOM 4 C LIG 1 3.373 -1.188 -1.669 0.00 0.00 +0.070 A ATOM 5 N LIG 1 4.691 -1.375 -1.874 0.00 0.00 -0.257 NA ATOM 6 C LIG 1 5.495 -0.946 -0.872 0.00 0.00 +0.115 A ATOM 7 C LIG 1 5.038 -0.356 0.314 0.00 0.00 -0.023 A ATOM 8 C LIG 1 2.311 -1.552 -2.682 0.00 0.00 +0.025 C ATOM 9 C LIG 1 2.445 -0.681 -3.935 0.00 0.00 +0.019 C ATOM 10 C LIG 1 2.370 -3.037 -3.045 0.00 0.00 +0.019 C ATOM 11 C LIG 1 3.655 -0.187 0.478 0.00 0.00 +0.030 A ATOM 12 C LIG 1 1.021 -1.210 -1.895 0.00 0.00 +0.126 C ATOM 13 O LIG 1 0.970 0.587 1.324 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 14 ATOM 14 C LIG 1 -0.950 -0.118 0.026 0.00 0.00 +0.181 C BRANCH 14 21 ATOM 15 C LIG 1 -1.411 -4.184 1.949 0.00 0.00 +0.025 C ATOM 16 C LIG 1 -1.783 -2.938 1.147 0.00 0.00 +0.065 C ATOM 17 N LIG 1 -3.229 -2.960 0.884 0.00 0.00 -0.311 NA ATOM 18 H LIG 1 -3.474 -3.754 0.295 0.00 0.00 +0.122 HD ATOM 19 C LIG 1 -3.680 -1.709 0.253 0.00 0.00 +0.101 C ATOM 20 C LIG 1 -3.220 -0.427 1.013 0.00 0.00 +0.085 C ATOM 21 N LIG 1 -1.741 -0.388 1.248 0.00 0.00 -0.287 NA ATOM 22 C LIG 1 -1.348 -1.657 1.907 0.00 0.00 +0.103 C BRANCH 20 23 ATOM 23 C LIG 1 -3.775 0.859 0.318 0.00 0.00 +0.105 C BRANCH 23 24 ATOM 24 N LIG 1 -5.255 0.956 0.275 0.00 0.00 -0.291 NA ATOM 25 C LIG 1 -5.750 1.995 -0.665 0.00 0.00 +0.080 C ATOM 26 C LIG 1 -5.246 1.848 -2.105 0.00 0.00 +0.026 C ATOM 27 C LIG 1 -5.527 3.438 -0.148 0.00 0.00 +0.178 C ATOM 28 O LIG 1 -5.899 3.643 1.221 0.00 0.00 -0.377 OA ATOM 29 C LIG 1 -6.620 2.536 1.765 0.00 0.00 +0.178 C ATOM 30 C LIG 1 -5.803 1.224 1.644 0.00 0.00 +0.080 C ATOM 31 C LIG 1 -6.677 0.041 2.065 0.00 0.00 +0.026 C ENDBRANCH 23 24 ENDBRANCH 20 23 ENDBRANCH 14 21 ENDBRANCH 1 14 BRANCH 7 32 ATOM 32 C LIG 1 6.004 0.090 1.382 0.00 0.00 +0.075 C BRANCH 32 33 ATOM 33 C LIG 1 6.830 1.293 0.985 0.00 0.00 -0.001 A ATOM 34 C LIG 1 8.150 1.204 0.517 0.00 0.00 +0.123 A ATOM 35 C LIG 1 8.838 2.334 0.080 0.00 0.00 +0.084 A ATOM 36 C LIG 1 8.215 3.574 0.130 0.00 0.00 +0.127 A ATOM 37 F LIG 1 8.877 4.663 -0.284 0.00 0.00 -0.205 F ATOM 38 C LIG 1 6.915 3.701 0.600 0.00 0.00 +0.039 A ATOM 39 C LIG 1 6.223 2.565 1.021 0.00 0.00 +0.010 A BRANCH 34 40 ATOM 40 O LIG 1 8.834 0.024 0.441 0.00 0.00 -0.506 OA ATOM 41 H LIG 1 8.564 -0.550 1.176 0.00 0.00 +0.292 HD ENDBRANCH 34 40 ENDBRANCH 32 33 ENDBRANCH 7 32 TORSDOF 7