REMARK Name = BDB026316 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.204 1.105 0.724 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -2.415 -0.037 1.017 0.00 0.00 +0.056 A ATOM 3 C LIG 1 -1.022 0.005 0.883 0.00 0.00 +0.036 A ATOM 4 C LIG 1 -0.364 1.173 0.455 0.00 0.00 +0.019 A ATOM 5 C LIG 1 -1.163 2.290 0.174 0.00 0.00 +0.133 A ATOM 6 F LIG 1 -0.600 3.431 -0.255 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -2.552 2.264 0.304 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -6.523 1.332 -2.488 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -5.850 1.813 -1.198 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -6.721 2.716 -0.390 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -7.993 2.101 -0.007 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -5.926 3.191 0.777 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -6.698 4.165 1.678 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -5.294 2.057 1.636 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -4.605 1.009 0.851 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -5.288 0.605 -0.401 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 1.104 1.206 0.313 0.00 0.00 -0.012 A ATOM 18 C LIG 1 1.793 0.174 -0.345 0.00 0.00 +0.047 A ATOM 19 C LIG 1 3.184 0.202 -0.473 0.00 0.00 +0.136 A ATOM 20 F LIG 1 3.772 -0.814 -1.124 0.00 0.00 -0.205 F ATOM 21 C LIG 1 3.936 1.254 0.049 0.00 0.00 +0.072 A ATOM 22 C LIG 1 3.261 2.291 0.705 0.00 0.00 +0.016 A ATOM 23 C LIG 1 1.867 2.264 0.835 0.00 0.00 +0.009 A BRANCH 21 24 ATOM 24 C LIG 1 5.421 1.331 -0.059 0.00 0.00 +0.247 C ATOM 25 N LIG 1 6.074 0.253 -0.620 0.00 0.00 -0.308 N ATOM 26 H LIG 1 5.512 -0.472 -1.051 0.00 0.00 +0.149 HD ATOM 27 O LIG 1 6.008 2.329 0.347 0.00 0.00 -0.270 OA BRANCH 25 28 ATOM 28 C LIG 1 7.507 0.268 -0.892 0.00 0.00 +0.079 C ATOM 29 C LIG 1 8.148 -1.151 -0.803 0.00 0.00 -0.016 C ATOM 30 C LIG 1 7.471 -2.170 -1.746 0.00 0.00 +0.013 C ATOM 31 C LIG 1 8.026 -1.690 0.638 0.00 0.00 +0.013 C ATOM 32 C LIG 1 9.655 -1.044 -1.153 0.00 0.00 +0.008 C ATOM 33 C LIG 1 9.919 -0.360 -2.494 0.00 0.00 +0.001 C ATOM 34 C LIG 1 9.265 1.014 -2.562 0.00 0.00 +0.002 C ATOM 35 C LIG 1 7.776 0.956 -2.241 0.00 0.00 +0.023 C ENDBRANCH 25 28 ENDBRANCH 21 24 ENDBRANCH 4 17 BRANCH 2 36 ATOM 36 N LIG 1 -3.121 -1.176 1.466 0.00 0.00 -0.280 N ATOM 37 H LIG 1 -4.125 -1.014 1.510 0.00 0.00 +0.155 HD ATOM 38 C LIG 1 -2.615 -2.386 1.870 0.00 0.00 +0.250 C ATOM 39 O LIG 1 -1.439 -2.726 1.922 0.00 0.00 -0.270 OA BRANCH 38 40 ATOM 40 C LIG 1 -3.672 -3.320 2.357 0.00 0.00 +0.062 A ATOM 41 C LIG 1 -4.673 -3.949 1.502 0.00 0.00 +0.036 A ATOM 42 C LIG 1 -5.567 -4.795 2.051 0.00 0.00 +0.080 A ATOM 43 C LIG 1 -5.542 -5.086 3.508 0.00 0.00 +0.249 A ATOM 44 O LIG 1 -6.361 -5.843 4.013 0.00 0.00 -0.268 OA ATOM 45 N LIG 1 -4.555 -4.458 4.223 0.00 0.00 -0.328 N ATOM 46 H LIG 1 -4.522 -4.670 5.215 0.00 0.00 +0.168 HD ATOM 47 C LIG 1 -3.635 -3.602 3.669 0.00 0.00 +0.099 A BRANCH 41 48 ATOM 48 C LIG 1 -4.668 -3.668 0.031 0.00 0.00 +0.372 C ATOM 49 F LIG 1 -3.424 -3.755 -0.502 0.00 0.00 -0.204 F ATOM 50 F LIG 1 -5.112 -2.406 -0.213 0.00 0.00 -0.204 F ENDBRANCH 41 48 ENDBRANCH 38 40 ENDBRANCH 2 36 TORSDOF 7