REMARK Name = BDB026173 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.187 -1.003 -0.191 0.00 0.00 +0.019 A ATOM 2 C LIG 1 1.610 -2.018 -0.967 0.00 0.00 +0.133 A ATOM 3 F LIG 1 2.383 -2.972 -1.511 0.00 0.00 -0.205 F ATOM 4 C LIG 1 0.237 -2.080 -1.205 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -0.615 -1.116 -0.665 0.00 0.00 +0.054 A ATOM 6 C LIG 1 -0.053 -0.081 0.122 0.00 0.00 +0.056 A ATOM 7 C LIG 1 1.327 -0.032 0.353 0.00 0.00 +0.036 A ENDROOT BRANCH 5 8 ATOM 8 N LIG 1 -2.010 -1.153 -0.842 0.00 0.00 -0.326 N ATOM 9 C LIG 1 -2.739 -1.962 0.160 0.00 0.00 +0.123 C ATOM 10 C LIG 1 -3.663 -3.063 -0.441 0.00 0.00 +0.071 C ATOM 11 C LIG 1 -2.858 -4.316 -0.809 0.00 0.00 +0.026 C ATOM 12 N LIG 1 -4.462 -2.682 -1.632 0.00 0.00 -0.300 NA ATOM 13 C LIG 1 -5.895 -2.664 -1.354 0.00 0.00 +0.105 C ATOM 14 C LIG 1 -4.029 -1.401 -2.226 0.00 0.00 +0.103 C ATOM 15 C LIG 1 -2.497 -1.242 -2.228 0.00 0.00 +0.120 C ENDBRANCH 5 8 BRANCH 1 21 ATOM 16 C LIG 1 5.758 0.299 0.009 0.00 0.00 +0.072 A ATOM 17 C LIG 1 6.412 -0.826 0.510 0.00 0.00 +0.136 A ATOM 18 F LIG 1 7.733 -0.816 0.751 0.00 0.00 -0.205 F ATOM 19 C LIG 1 5.713 -1.999 0.779 0.00 0.00 +0.040 A ATOM 20 C LIG 1 4.337 -2.057 0.549 0.00 0.00 +0.011 A ATOM 21 C LIG 1 3.640 -0.945 0.049 0.00 0.00 -0.014 A ATOM 22 C LIG 1 4.371 0.230 -0.214 0.00 0.00 +0.024 A BRANCH 16 26 ATOM 23 C LIG 1 8.571 2.838 -0.291 0.00 0.00 +0.128 C ATOM 24 N LIG 1 7.823 1.623 -0.096 0.00 0.00 -0.314 N ATOM 25 H LIG 1 8.286 0.837 0.348 0.00 0.00 +0.149 HD ATOM 26 C LIG 1 6.462 1.575 -0.307 0.00 0.00 +0.247 C ATOM 27 O LIG 1 5.827 2.534 -0.736 0.00 0.00 -0.270 OA ENDBRANCH 16 26 ENDBRANCH 1 21 BRANCH 6 28 ATOM 28 N LIG 1 -0.968 0.879 0.608 0.00 0.00 -0.280 N ATOM 29 H LIG 1 -1.909 0.720 0.252 0.00 0.00 +0.155 HD ATOM 30 C LIG 1 -0.724 1.949 1.431 0.00 0.00 +0.250 C ATOM 31 O LIG 1 0.340 2.237 1.969 0.00 0.00 -0.270 OA BRANCH 30 32 ATOM 32 C LIG 1 -1.950 2.751 1.740 0.00 0.00 +0.062 A ATOM 33 C LIG 1 -2.818 3.380 0.747 0.00 0.00 +0.036 A ATOM 34 C LIG 1 -3.883 4.095 1.163 0.00 0.00 +0.080 A ATOM 35 C LIG 1 -4.180 4.248 2.610 0.00 0.00 +0.249 A ATOM 36 O LIG 1 -5.155 4.882 2.990 0.00 0.00 -0.268 OA ATOM 37 N LIG 1 -3.296 3.642 3.464 0.00 0.00 -0.328 N ATOM 38 H LIG 1 -3.481 3.762 4.454 0.00 0.00 +0.168 HD ATOM 39 C LIG 1 -2.205 2.918 3.049 0.00 0.00 +0.099 A BRANCH 33 40 ATOM 40 C LIG 1 -2.501 3.254 -0.711 0.00 0.00 +0.372 C ATOM 41 F LIG 1 -1.188 3.473 -0.967 0.00 0.00 -0.204 F ATOM 42 F LIG 1 -2.785 1.997 -1.147 0.00 0.00 -0.204 F ENDBRANCH 33 40 ENDBRANCH 30 32 ENDBRANCH 6 28 TORSDOF 6