REMARK Name = BDB025656 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.916 0.944 0.320 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.600 -0.434 0.290 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.733 -0.856 0.288 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.791 0.074 0.328 0.00 0.00 +0.021 A ATOM 5 C LIG 1 1.450 1.435 0.362 0.00 0.00 +0.133 A ATOM 6 F LIG 1 2.411 2.371 0.412 0.00 0.00 -0.205 F ATOM 7 C LIG 1 0.126 1.872 0.357 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -5.150 1.355 -0.798 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -4.124 2.487 -0.929 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -4.376 3.461 0.169 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -4.681 4.784 -0.379 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -3.261 3.506 1.153 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -3.709 4.178 2.457 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -2.712 2.090 1.500 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -2.281 1.323 0.306 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -2.676 1.928 -0.985 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 3.195 -0.377 0.331 0.00 0.00 +0.003 A ATOM 18 C LIG 1 4.177 0.233 -0.455 0.00 0.00 +0.123 A ATOM 19 N LIG 1 5.482 -0.137 -0.505 0.00 0.00 -0.221 NA ATOM 20 C LIG 1 5.843 -1.175 0.274 0.00 0.00 +0.215 A ATOM 21 C LIG 1 4.962 -1.857 1.094 0.00 0.00 +0.068 A ATOM 22 C LIG 1 3.628 -1.452 1.120 0.00 0.00 +0.015 A BRANCH 20 23 ATOM 23 O LIG 1 7.151 -1.614 0.283 0.00 0.00 -0.476 OA BRANCH 23 24 ATOM 24 C LIG 1 8.002 -0.854 -0.574 0.00 0.00 +0.234 C BRANCH 24 25 ATOM 25 C LIG 1 9.382 -1.439 -0.487 0.00 0.00 +0.027 C ATOM 26 C LIG 1 10.309 -1.052 0.636 0.00 0.00 +0.007 C ATOM 27 C LIG 1 10.595 -0.589 -0.766 0.00 0.00 +0.007 C ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 20 23 ENDBRANCH 4 17 BRANCH 2 28 ATOM 28 N LIG 1 -1.708 -1.306 0.265 0.00 0.00 -0.280 N ATOM 29 H LIG 1 -2.590 -0.793 0.255 0.00 0.00 +0.155 HD ATOM 30 C LIG 1 -1.714 -2.675 0.307 0.00 0.00 +0.250 C ATOM 31 O LIG 1 -0.753 -3.426 0.407 0.00 0.00 -0.270 OA BRANCH 30 32 ATOM 32 C LIG 1 -3.094 -3.236 0.280 0.00 0.00 +0.065 A ATOM 33 C LIG 1 -3.959 -3.206 -0.894 0.00 0.00 +0.073 A ATOM 34 C LIG 1 -5.193 -3.744 -0.815 0.00 0.00 +0.083 A ATOM 35 C LIG 1 -5.670 -4.363 0.447 0.00 0.00 +0.249 A ATOM 36 O LIG 1 -6.793 -4.842 0.531 0.00 0.00 -0.268 OA ATOM 37 N LIG 1 -4.776 -4.359 1.487 0.00 0.00 -0.328 N ATOM 38 H LIG 1 -5.094 -4.797 2.345 0.00 0.00 +0.168 HD ATOM 39 C LIG 1 -3.516 -3.818 1.414 0.00 0.00 +0.099 A BRANCH 33 40 ATOM 40 C LIG 1 -3.436 -2.609 -2.163 0.00 0.00 +0.418 C ATOM 41 F LIG 1 -2.233 -3.117 -2.523 0.00 0.00 -0.166 F ATOM 42 F LIG 1 -3.292 -1.264 -2.056 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -4.273 -2.816 -3.213 0.00 0.00 -0.166 F ENDBRANCH 33 40 ENDBRANCH 30 32 ENDBRANCH 2 28 TORSDOF 8