REMARK Name = BDB057485 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.578 1.897 1.064 0.00 0.00 +0.121 A ATOM 2 C LIG 1 0.215 2.178 1.132 0.00 0.00 +0.046 A ATOM 3 C LIG 1 -0.536 2.316 -0.036 0.00 0.00 +0.007 A ATOM 4 C LIG 1 0.071 2.180 -1.290 0.00 0.00 -0.045 A ATOM 5 C LIG 1 1.449 1.933 -1.350 0.00 0.00 +0.007 A ATOM 6 C LIG 1 2.201 1.801 -0.178 0.00 0.00 +0.046 A ENDROOT BRANCH 1 7 ATOM 7 O LIG 1 2.220 1.771 2.265 0.00 0.00 -0.490 OA BRANCH 7 8 ATOM 8 C LIG 1 3.181 0.709 2.345 0.00 0.00 +0.251 C BRANCH 8 11 ATOM 9 C LIG 1 4.415 -2.285 1.570 0.00 0.00 +0.250 C ATOM 10 N LIG 1 3.507 -1.770 2.479 0.00 0.00 -0.291 N ATOM 11 C LIG 1 2.529 -0.691 2.279 0.00 0.00 +0.114 C ATOM 12 C LIG 1 1.522 -0.920 3.417 0.00 0.00 +0.027 C ATOM 13 C LIG 1 2.382 -1.493 4.538 0.00 0.00 +0.021 C ATOM 14 C LIG 1 3.377 -2.372 3.796 0.00 0.00 +0.108 C ATOM 15 O LIG 1 5.189 -3.203 1.835 0.00 0.00 -0.270 OA BRANCH 9 17 ATOM 16 C LIG 1 5.398 -0.874 -0.255 0.00 0.00 +0.132 A ATOM 17 C LIG 1 4.402 -1.755 0.191 0.00 0.00 +0.078 A ATOM 18 C LIG 1 3.402 -2.218 -0.675 0.00 0.00 +0.017 A ATOM 19 C LIG 1 3.377 -1.784 -1.998 0.00 0.00 +0.001 A ATOM 20 C LIG 1 4.356 -0.902 -2.454 0.00 0.00 +0.004 A ATOM 21 C LIG 1 5.361 -0.448 -1.588 0.00 0.00 +0.046 A BRANCH 16 23 ATOM 22 C LIG 1 7.454 0.250 0.196 0.00 0.00 +0.277 C ATOM 23 O LIG 1 6.316 -0.458 0.670 0.00 0.00 -0.494 OA ENDBRANCH 16 23 ENDBRANCH 9 17 ENDBRANCH 8 11 ENDBRANCH 7 8 ENDBRANCH 1 7 BRANCH 4 24 ATOM 24 C LIG 1 -0.745 2.303 -2.559 0.00 0.00 +0.068 C BRANCH 24 25 ATOM 25 CA LIG 1 -1.501 1.032 -2.995 0.00 0.00 +0.184 C BRANCH 25 26 ATOM 26 C LIG 1 -0.524 -0.141 -3.160 0.00 0.00 +0.326 C ATOM 27 O LIG 1 -0.479 -1.179 -2.516 0.00 0.00 -0.249 OA BRANCH 26 28 ATOM 28 OXT LIG 1 0.350 0.044 -4.178 0.00 0.00 -0.479 OA ATOM 29 HXT LIG 1 0.858 -0.795 -4.180 0.00 0.00 +0.295 HD ENDBRANCH 26 28 ENDBRANCH 25 26 BRANCH 25 30 ATOM 30 N LIG 1 -2.598 0.660 -2.074 0.00 0.00 -0.331 N ATOM 31 H LIG 1 -2.238 0.296 -1.180 0.00 0.00 +0.147 HD BRANCH 30 32 ATOM 32 C LIG 1 -3.754 1.430 -1.903 0.00 0.00 +0.039 A ATOM 33 C LIG 1 -4.615 1.203 -0.805 0.00 0.00 +0.043 A ATOM 34 C LIG 1 -5.809 1.927 -0.639 0.00 0.00 +0.013 A ATOM 35 C LIG 1 -6.192 2.861 -1.595 0.00 0.00 +0.001 A ATOM 36 C LIG 1 -5.390 3.066 -2.712 0.00 0.00 +0.002 A ATOM 37 C LIG 1 -4.197 2.347 -2.870 0.00 0.00 +0.023 A BRANCH 33 38 ATOM 38 C LIG 1 -4.259 0.202 0.231 0.00 0.00 +0.195 C ATOM 39 O LIG 1 -3.162 0.276 0.779 0.00 0.00 -0.287 OA BRANCH 38 40 ATOM 40 C LIG 1 -5.218 -0.871 0.610 0.00 0.00 +0.022 A ATOM 41 C LIG 1 -6.166 -1.363 -0.296 0.00 0.00 +0.012 A ATOM 42 C LIG 1 -7.049 -2.371 0.098 0.00 0.00 +0.001 A ATOM 43 C LIG 1 -6.983 -2.896 1.389 0.00 0.00 +0.000 A ATOM 44 C LIG 1 -6.027 -2.422 2.288 0.00 0.00 +0.001 A ATOM 45 C LIG 1 -5.141 -1.414 1.899 0.00 0.00 +0.012 A ENDBRANCH 38 40 ENDBRANCH 33 38 ENDBRANCH 30 32 ENDBRANCH 25 30 ENDBRANCH 24 25 ENDBRANCH 4 24 TORSDOF 13