REMARK Name = BDB035883 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.566 -0.346 -0.972 0.00 0.00 +0.065 A ATOM 2 C LIG 1 -0.525 0.382 -0.265 0.00 0.00 +0.266 A ATOM 3 O LIG 1 -0.388 1.571 0.030 0.00 0.00 -0.267 OA ATOM 4 N LIG 1 -1.668 -0.365 0.024 0.00 0.00 -0.267 N ATOM 5 C LIG 1 -1.757 -1.702 -0.364 0.00 0.00 +0.152 A ATOM 6 C LIG 1 -3.018 -2.424 -0.024 0.00 0.00 +0.098 A ATOM 7 C LIG 1 -3.990 -1.768 0.632 0.00 0.00 +0.022 A ATOM 8 C LIG 1 -3.850 -0.379 1.010 0.00 0.00 -0.016 A ATOM 9 N LIG 1 -0.808 -2.321 -0.994 0.00 0.00 -0.236 NA ATOM 10 C LIG 1 -2.712 0.258 0.700 0.00 0.00 +0.101 A ATOM 11 C LIG 1 0.330 -1.627 -1.281 0.00 0.00 +0.127 A ENDROOT BRANCH 1 14 ATOM 12 C LIG 1 4.310 0.363 -1.242 0.00 0.00 -0.033 A ATOM 13 C LIG 1 3.065 -0.226 -0.916 0.00 0.00 +0.013 A ATOM 14 C LIG 1 1.835 0.302 -1.345 0.00 0.00 -0.011 A ATOM 15 C LIG 1 1.839 1.458 -2.127 0.00 0.00 +0.009 A ATOM 16 C LIG 1 3.042 2.066 -2.475 0.00 0.00 +0.001 A ATOM 17 C LIG 1 4.253 1.524 -2.038 0.00 0.00 +0.004 A BRANCH 12 21 ATOM 18 C LIG 1 8.490 -1.811 -0.439 0.00 0.00 +0.007 C ATOM 19 C LIG 1 7.461 -1.332 -1.450 0.00 0.00 -0.012 C ATOM 20 C LIG 1 7.041 0.149 -1.357 0.00 0.00 +0.022 C ATOM 21 C LIG 1 5.685 -0.272 -0.696 0.00 0.00 +0.056 C ATOM 22 C LIG 1 5.993 -1.727 -1.198 0.00 0.00 +0.022 C BRANCH 21 23 ATOM 23 C LIG 1 5.723 -0.141 0.889 0.00 0.00 +0.144 A ATOM 24 N LIG 1 5.693 1.008 1.632 0.00 0.00 -0.320 N ATOM 25 C LIG 1 5.616 2.365 1.168 0.00 0.00 +0.151 C ATOM 26 C LIG 1 5.720 0.615 2.935 0.00 0.00 +0.224 A ATOM 27 N LIG 1 5.760 -0.695 2.997 0.00 0.00 -0.138 NA ATOM 28 N LIG 1 5.750 -1.172 1.709 0.00 0.00 -0.134 NA ENDBRANCH 21 23 ENDBRANCH 12 21 ENDBRANCH 1 14 BRANCH 6 29 ATOM 29 C LIG 1 -3.103 -3.845 -0.453 0.00 0.00 +0.421 C ATOM 30 F LIG 1 -3.020 -3.996 -1.800 0.00 0.00 -0.166 F ATOM 31 F LIG 1 -2.146 -4.626 0.110 0.00 0.00 -0.166 F ATOM 32 F LIG 1 -4.293 -4.407 -0.093 0.00 0.00 -0.166 F ENDBRANCH 6 29 BRANCH 8 33 ATOM 33 C LIG 1 -4.988 0.285 1.757 0.00 0.00 +0.121 C BRANCH 33 34 ATOM 34 N LIG 1 -6.251 0.245 1.011 0.00 0.00 -0.295 NA ATOM 35 C LIG 1 -7.399 0.725 1.818 0.00 0.00 +0.057 C ATOM 36 C LIG 1 -7.487 2.210 1.486 0.00 0.00 +0.023 C ATOM 37 C LIG 1 -7.522 1.950 -0.014 0.00 0.00 +0.005 C ATOM 38 C LIG 1 -8.742 1.022 -0.154 0.00 0.00 +0.006 C ATOM 39 C LIG 1 -8.662 0.176 1.127 0.00 0.00 +0.019 C ATOM 40 C LIG 1 -6.240 1.125 -0.185 0.00 0.00 +0.088 C ENDBRANCH 33 34 ENDBRANCH 8 33 TORSDOF 6