REMARK Name = BDB035870 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.990 -2.038 0.468 0.00 0.00 +0.065 A ATOM 2 C LIG 1 0.023 -0.987 0.163 0.00 0.00 +0.266 A ATOM 3 O LIG 1 -0.214 -0.123 -0.684 0.00 0.00 -0.267 OA ATOM 4 N LIG 1 1.211 -1.052 0.892 0.00 0.00 -0.267 N ATOM 5 C LIG 1 1.390 -2.032 1.868 0.00 0.00 +0.152 A ATOM 6 C LIG 1 2.684 -2.022 2.610 0.00 0.00 +0.098 A ATOM 7 C LIG 1 3.602 -1.088 2.311 0.00 0.00 +0.022 A ATOM 8 C LIG 1 3.372 -0.096 1.284 0.00 0.00 -0.016 A ATOM 9 N LIG 1 0.492 -2.925 2.146 0.00 0.00 -0.236 NA ATOM 10 C LIG 1 2.202 -0.112 0.628 0.00 0.00 +0.101 A ATOM 11 C LIG 1 -0.673 -2.906 1.438 0.00 0.00 +0.127 A ENDROOT BRANCH 1 14 ATOM 12 C LIG 1 -4.367 -1.003 -0.983 0.00 0.00 -0.033 A ATOM 13 C LIG 1 -3.113 -0.982 -0.333 0.00 0.00 +0.013 A ATOM 14 C LIG 1 -2.291 -2.117 -0.226 0.00 0.00 -0.011 A ATOM 15 C LIG 1 -2.731 -3.319 -0.790 0.00 0.00 +0.009 A ATOM 16 C LIG 1 -3.963 -3.383 -1.435 0.00 0.00 +0.001 A ATOM 17 C LIG 1 -4.763 -2.243 -1.525 0.00 0.00 +0.004 A BRANCH 12 21 ATOM 18 C LIG 1 -4.944 3.216 -3.046 0.00 0.00 +0.007 C ATOM 19 C LIG 1 -5.571 2.216 -2.097 0.00 0.00 -0.012 C ATOM 20 C LIG 1 -5.629 0.749 -2.582 0.00 0.00 +0.022 C ATOM 21 C LIG 1 -5.309 0.291 -1.111 0.00 0.00 +0.056 C ATOM 22 C LIG 1 -4.683 1.719 -0.931 0.00 0.00 +0.022 C BRANCH 21 23 ATOM 23 C LIG 1 -6.615 0.093 -0.224 0.00 0.00 +0.144 A ATOM 24 N LIG 1 -6.686 -0.101 1.128 0.00 0.00 -0.320 N ATOM 25 C LIG 1 -5.608 -0.179 2.073 0.00 0.00 +0.151 C ATOM 26 C LIG 1 -8.010 -0.227 1.421 0.00 0.00 +0.224 A ATOM 27 N LIG 1 -8.716 -0.119 0.321 0.00 0.00 -0.138 NA ATOM 28 N LIG 1 -7.837 0.078 -0.718 0.00 0.00 -0.134 NA ENDBRANCH 21 23 ENDBRANCH 12 21 ENDBRANCH 1 14 BRANCH 6 29 ATOM 29 C LIG 1 2.860 -3.074 3.647 0.00 0.00 +0.421 C ATOM 30 F LIG 1 2.811 -4.331 3.138 0.00 0.00 -0.166 F ATOM 31 F LIG 1 1.936 -2.994 4.639 0.00 0.00 -0.166 F ATOM 32 F LIG 1 4.072 -2.972 4.265 0.00 0.00 -0.166 F ENDBRANCH 6 29 BRANCH 8 33 ATOM 33 C LIG 1 4.455 0.926 1.008 0.00 0.00 +0.121 C BRANCH 33 34 ATOM 34 N LIG 1 5.739 0.319 0.625 0.00 0.00 -0.298 NA ATOM 35 C LIG 1 6.850 1.282 0.711 0.00 0.00 +0.088 C ATOM 36 C LIG 1 6.850 2.343 -0.404 0.00 0.00 +0.000 C ATOM 37 C LIG 1 8.068 3.257 -0.279 0.00 0.00 +0.009 C ATOM 38 C LIG 1 6.819 1.672 -1.782 0.00 0.00 +0.006 C ATOM 39 C LIG 1 5.679 0.662 -1.872 0.00 0.00 +0.016 C ATOM 40 C LIG 1 5.714 -0.322 -0.699 0.00 0.00 +0.085 C ENDBRANCH 33 34 ENDBRANCH 8 33 TORSDOF 6