REMARK Name = BDB055726 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.163 1.415 -1.736 0.00 0.00 +0.072 A ATOM 2 C LIG 1 -0.234 2.240 -2.784 0.00 0.00 +0.135 A ATOM 3 F LIG 1 0.420 3.378 -3.056 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -1.298 1.873 -3.601 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -1.982 0.678 -3.361 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -1.613 -0.154 -2.293 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -0.524 0.218 -1.488 0.00 0.00 +0.020 A ENDROOT BRANCH 1 16 ATOM 8 O LIG 1 5.696 1.487 3.779 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 4.892 1.278 2.880 0.00 0.00 +0.244 C ATOM 10 C LIG 1 5.082 0.185 1.886 0.00 0.00 +0.042 A ATOM 11 C LIG 1 4.260 0.103 0.743 0.00 0.00 -0.010 A ATOM 12 C LIG 1 4.394 -1.007 -0.111 0.00 0.00 -0.040 A ATOM 13 C LIG 1 3.442 -1.202 -1.257 0.00 0.00 +0.054 C ATOM 14 C LIG 1 2.812 0.110 -1.700 0.00 0.00 +0.113 C ATOM 15 N LIG 1 2.272 0.877 -0.572 0.00 0.00 -0.289 N ATOM 16 C LIG 1 1.276 1.826 -0.856 0.00 0.00 +0.250 C ATOM 17 O LIG 1 1.234 2.946 -0.359 0.00 0.00 -0.270 OA ATOM 18 C LIG 1 5.359 -1.988 0.165 0.00 0.00 +0.004 A ATOM 19 C LIG 1 6.196 -1.871 1.274 0.00 0.00 +0.001 A ATOM 20 C LIG 1 3.275 1.238 0.452 0.00 0.00 +0.125 C ATOM 21 C LIG 1 2.693 1.679 1.818 0.00 0.00 +0.131 C ATOM 22 C LIG 1 6.054 -0.789 2.139 0.00 0.00 +0.013 A ATOM 23 N LIG 1 3.752 2.028 2.749 0.00 0.00 -0.309 N ATOM 24 H LIG 1 3.577 2.690 3.495 0.00 0.00 +0.149 HD ENDBRANCH 1 16 BRANCH 6 25 ATOM 25 C LIG 1 -2.352 -1.452 -2.053 0.00 0.00 +0.092 C BRANCH 25 26 ATOM 26 C LIG 1 -2.708 -1.694 -0.589 0.00 0.00 +0.069 A ATOM 27 C LIG 1 -3.820 -0.917 0.043 0.00 0.00 -0.016 A ATOM 28 C LIG 1 -4.628 0.068 -0.755 0.00 0.00 +0.037 C ATOM 29 C LIG 1 -5.912 0.513 -0.046 0.00 0.00 +0.005 C ATOM 30 C LIG 1 -5.653 0.810 1.425 0.00 0.00 +0.005 C ATOM 31 C LIG 1 -5.101 -0.423 2.144 0.00 0.00 +0.041 C ATOM 32 C LIG 1 -4.051 -1.147 1.347 0.00 0.00 +0.023 A ATOM 33 C LIG 1 -3.244 -2.155 2.080 0.00 0.00 +0.268 A ATOM 34 O LIG 1 -3.443 -2.408 3.264 0.00 0.00 -0.266 OA ATOM 35 N LIG 1 -2.272 -2.787 1.353 0.00 0.00 -0.243 N ATOM 36 H LIG 1 -1.711 -3.480 1.838 0.00 0.00 +0.192 HD ATOM 37 N LIG 1 -1.986 -2.572 0.042 0.00 0.00 -0.175 NA ENDBRANCH 25 26 ENDBRANCH 6 25 TORSDOF 3