REMARK Name = BDB035886 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.889 0.785 0.257 0.00 0.00 +0.065 A ATOM 2 C LIG 1 0.156 -0.272 0.156 0.00 0.00 +0.266 A ATOM 3 O LIG 1 0.000 -1.354 0.726 0.00 0.00 -0.267 OA ATOM 4 N LIG 1 1.279 0.053 -0.606 0.00 0.00 -0.267 N ATOM 5 C LIG 1 1.390 1.309 -1.203 0.00 0.00 +0.152 A ATOM 6 C LIG 1 2.628 1.576 -1.992 0.00 0.00 +0.098 A ATOM 7 C LIG 1 3.559 0.613 -2.096 0.00 0.00 +0.022 A ATOM 8 C LIG 1 3.397 -0.674 -1.456 0.00 0.00 -0.016 A ATOM 9 N LIG 1 0.481 2.226 -1.097 0.00 0.00 -0.236 NA ATOM 10 C LIG 1 2.280 -0.902 -0.749 0.00 0.00 +0.101 A ATOM 11 C LIG 1 -0.637 1.941 -0.370 0.00 0.00 +0.127 A ENDROOT BRANCH 1 14 ATOM 12 C LIG 1 -4.608 0.559 1.102 0.00 0.00 -0.033 A ATOM 13 C LIG 1 -3.386 0.738 0.409 0.00 0.00 +0.013 A ATOM 14 C LIG 1 -2.131 0.596 1.025 0.00 0.00 -0.011 A ATOM 15 C LIG 1 -2.083 0.268 2.381 0.00 0.00 +0.009 A ATOM 16 C LIG 1 -3.261 0.095 3.102 0.00 0.00 +0.001 A ATOM 17 C LIG 1 -4.499 0.240 2.470 0.00 0.00 +0.004 A BRANCH 12 21 ATOM 18 C LIG 1 -8.507 3.096 1.063 0.00 0.00 +0.007 C ATOM 19 C LIG 1 -7.222 2.299 1.165 0.00 0.00 -0.012 C ATOM 20 C LIG 1 -6.384 2.168 -0.130 0.00 0.00 +0.022 C ATOM 21 C LIG 1 -6.017 0.706 0.328 0.00 0.00 +0.056 C ATOM 22 C LIG 1 -7.361 0.758 1.137 0.00 0.00 +0.022 C BRANCH 21 23 ATOM 23 C LIG 1 -6.091 -0.349 -0.850 0.00 0.00 +0.144 A ATOM 24 N LIG 1 -6.048 -1.712 -0.747 0.00 0.00 -0.320 N ATOM 25 C LIG 1 -5.928 -2.504 0.446 0.00 0.00 +0.151 C ATOM 26 C LIG 1 -6.119 -2.189 -2.019 0.00 0.00 +0.224 A ATOM 27 N LIG 1 -6.200 -1.184 -2.860 0.00 0.00 -0.138 NA ATOM 28 N LIG 1 -6.176 -0.023 -2.124 0.00 0.00 -0.134 NA ENDBRANCH 21 23 ENDBRANCH 12 21 ENDBRANCH 1 14 BRANCH 6 29 ATOM 29 C LIG 1 2.739 2.924 -2.612 0.00 0.00 +0.421 C ATOM 30 F LIG 1 3.906 3.061 -3.306 0.00 0.00 -0.166 F ATOM 31 F LIG 1 2.737 3.928 -1.698 0.00 0.00 -0.166 F ATOM 32 F LIG 1 1.750 3.177 -3.507 0.00 0.00 -0.166 F ENDBRANCH 6 29 BRANCH 8 33 ATOM 33 C LIG 1 4.487 -1.708 -1.628 0.00 0.00 +0.121 C BRANCH 33 34 ATOM 34 N LIG 1 5.794 -1.258 -1.134 0.00 0.00 -0.297 NA ATOM 35 C LIG 1 5.830 -1.090 0.331 0.00 0.00 +0.091 C ATOM 36 C LIG 1 7.289 -0.943 0.828 0.00 0.00 -0.019 C ATOM 37 C LIG 1 8.067 -2.284 0.634 0.00 0.00 +0.012 C ATOM 38 C LIG 1 8.181 -1.832 -0.851 0.00 0.00 +0.004 C ATOM 39 C LIG 1 7.391 -0.328 2.210 0.00 0.00 +0.012 C ATOM 40 C LIG 1 8.265 -0.384 -0.268 0.00 0.00 +0.012 C ATOM 41 C LIG 1 6.881 -2.127 -1.615 0.00 0.00 +0.088 C ENDBRANCH 33 34 ENDBRANCH 8 33 TORSDOF 6