REMARK Name = BDB055728 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.659 0.100 -0.087 0.00 0.00 +0.163 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 1.370 -1.242 -0.418 0.00 0.00 +0.236 C ATOM 3 N LIG 1 2.758 -1.245 -0.560 0.00 0.00 -0.296 N ATOM 4 C LIG 1 3.521 -0.097 -1.053 0.00 0.00 +0.113 C ATOM 5 C LIG 1 4.911 -0.039 -0.416 0.00 0.00 +0.054 C ATOM 6 C LIG 1 5.590 -1.385 -0.443 0.00 0.00 -0.041 C ATOM 7 C LIG 1 4.864 -2.506 -0.615 0.00 0.00 -0.004 C ATOM 8 C LIG 1 3.373 -2.549 -0.785 0.00 0.00 +0.135 C ATOM 9 O LIG 1 0.718 -2.281 -0.573 0.00 0.00 -0.274 OA BRANCH 6 10 ATOM 10 C LIG 1 7.056 -1.430 -0.261 0.00 0.00 -0.022 A ATOM 11 C LIG 1 7.679 -0.638 0.717 0.00 0.00 +0.011 A ATOM 12 C LIG 1 9.067 -0.664 0.879 0.00 0.00 +0.039 A ATOM 13 C LIG 1 9.838 -1.480 0.060 0.00 0.00 +0.123 A ATOM 14 F LIG 1 11.168 -1.503 0.214 0.00 0.00 -0.205 F ATOM 15 C LIG 1 9.247 -2.268 -0.918 0.00 0.00 +0.039 A ATOM 16 C LIG 1 7.859 -2.243 -1.079 0.00 0.00 +0.011 A ENDBRANCH 6 10 ENDBRANCH 1 2 BRANCH 1 19 ATOM 17 O LIG 1 -1.130 -0.976 1.920 0.00 0.00 -0.274 OA ATOM 18 C LIG 1 -1.548 -0.719 0.795 0.00 0.00 +0.228 C ATOM 19 N LIG 1 -0.798 -0.093 -0.187 0.00 0.00 -0.303 N ATOM 20 H LIG 1 -1.139 -0.218 -1.131 0.00 0.00 +0.149 HD BRANCH 18 21 ATOM 21 C LIG 1 -2.985 -1.051 0.356 0.00 0.00 +0.181 C BRANCH 21 22 ATOM 22 N LIG 1 -3.988 -0.234 1.073 0.00 0.00 -0.285 NA ATOM 23 C LIG 1 -5.392 -0.568 0.724 0.00 0.00 +0.105 C ATOM 24 C LIG 1 -5.753 -2.068 0.827 0.00 0.00 +0.128 C ATOM 25 N LIG 1 -7.135 -2.311 0.464 0.00 0.00 -0.310 N ATOM 26 H LIG 1 -7.590 -3.163 0.767 0.00 0.00 +0.149 HD ATOM 27 C LIG 1 -7.687 -1.747 -0.661 0.00 0.00 +0.244 C ATOM 28 C LIG 1 -6.957 -0.598 -1.270 0.00 0.00 +0.042 A ATOM 29 C LIG 1 -7.411 -0.079 -2.487 0.00 0.00 +0.013 A ATOM 30 C LIG 1 -6.760 1.008 -3.069 0.00 0.00 +0.001 A ATOM 31 C LIG 1 -5.661 1.587 -2.434 0.00 0.00 +0.004 A ATOM 32 C LIG 1 -5.202 1.086 -1.208 0.00 0.00 -0.041 A ATOM 33 C LIG 1 -4.000 1.710 -0.545 0.00 0.00 +0.051 C ATOM 34 O LIG 1 -8.731 -2.176 -1.134 0.00 0.00 -0.270 OA ATOM 35 C LIG 1 -5.839 -0.030 -0.629 0.00 0.00 -0.013 A ATOM 36 C LIG 1 -3.794 1.218 0.895 0.00 0.00 +0.090 C ENDBRANCH 21 22 ENDBRANCH 18 21 ENDBRANCH 1 19 BRANCH 1 37 ATOM 37 C LIG 1 1.163 0.720 1.232 0.00 0.00 +0.067 C BRANCH 37 38 ATOM 38 C LIG 1 0.623 2.110 1.490 0.00 0.00 -0.045 A ATOM 39 C LIG 1 1.051 3.203 0.724 0.00 0.00 +0.004 A ATOM 40 C LIG 1 0.544 4.481 0.969 0.00 0.00 +0.000 A ATOM 41 C LIG 1 -0.391 4.679 1.982 0.00 0.00 +0.000 A ATOM 42 C LIG 1 -0.819 3.601 2.754 0.00 0.00 +0.000 A ATOM 43 C LIG 1 -0.313 2.323 2.510 0.00 0.00 +0.004 A ENDBRANCH 37 38 ENDBRANCH 1 37 TORSDOF 7