REMARK Name = BDB048474 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.446 -0.331 -1.235 0.00 0.00 +0.100 A ATOM 2 C LIG 1 -1.234 0.398 -1.008 0.00 0.00 +0.029 A ATOM 3 C LIG 1 -0.398 0.048 -2.063 0.00 0.00 +0.066 A ATOM 4 C LIG 1 0.899 0.546 -2.217 0.00 0.00 +0.029 A ATOM 5 C LIG 1 1.357 1.437 -1.241 0.00 0.00 +0.026 A ATOM 6 C LIG 1 0.547 1.804 -0.169 0.00 0.00 +0.049 A ATOM 7 N LIG 1 -1.123 -0.834 -2.816 0.00 0.00 -0.276 N ATOM 8 H LIG 1 -0.833 -1.303 -3.666 0.00 0.00 +0.189 HD ATOM 9 C LIG 1 -0.747 1.289 -0.029 0.00 0.00 +0.036 A ATOM 10 N LIG 1 -2.348 -1.093 -2.338 0.00 0.00 -0.173 NA ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -5.553 -1.573 0.522 0.00 0.00 +0.034 A ATOM 12 C LIG 1 -4.365 -1.536 -0.222 0.00 0.00 +0.033 A ATOM 13 C LIG 1 -3.673 -0.334 -0.438 0.00 0.00 +0.004 A ATOM 14 C LIG 1 -4.187 0.848 0.104 0.00 0.00 +0.010 A ATOM 15 C LIG 1 -5.351 0.817 0.871 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -6.024 -0.389 1.087 0.00 0.00 +0.023 A BRANCH 11 18 ATOM 17 C LIG 1 -7.389 -3.237 1.100 0.00 0.00 +0.241 C ATOM 18 N LIG 1 -6.158 -2.834 0.677 0.00 0.00 -0.282 N ATOM 19 H LIG 1 -5.597 -3.634 0.409 0.00 0.00 +0.155 HD ATOM 20 O LIG 1 -7.605 -4.426 1.337 0.00 0.00 -0.270 OA BRANCH 17 22 ATOM 21 C LIG 1 -9.103 -1.593 0.320 0.00 0.00 +0.096 C ATOM 22 C LIG 1 -8.485 -2.273 1.297 0.00 0.00 +0.074 C BRANCH 21 24 ATOM 23 O LIG 1 -9.236 -0.784 -1.903 0.00 0.00 -0.246 OA ATOM 24 C LIG 1 -8.839 -1.632 -1.123 0.00 0.00 +0.330 C BRANCH 24 25 ATOM 25 O LIG 1 -8.168 -2.710 -1.539 0.00 0.00 -0.478 OA ATOM 26 H LIG 1 -8.081 -2.586 -2.506 0.00 0.00 +0.295 HD ENDBRANCH 24 25 ENDBRANCH 21 24 ENDBRANCH 17 22 ENDBRANCH 11 18 ENDBRANCH 1 13 BRANCH 6 27 ATOM 27 N LIG 1 1.067 2.680 0.824 0.00 0.00 -0.216 N ATOM 28 H LIG 1 0.489 3.471 1.105 0.00 0.00 +0.174 HD BRANCH 27 29 ATOM 29 S LIG 1 1.820 1.988 2.173 0.00 0.00 +0.072 S ATOM 30 O LIG 1 1.985 3.064 3.128 0.00 0.00 -0.150 OA ATOM 31 O LIG 1 1.130 0.770 2.537 0.00 0.00 -0.150 OA BRANCH 29 32 ATOM 32 C LIG 1 3.430 1.578 1.551 0.00 0.00 +0.109 A ATOM 33 C LIG 1 4.392 2.580 1.420 0.00 0.00 +0.029 A ATOM 34 C LIG 1 5.662 2.255 0.935 0.00 0.00 +0.010 A ATOM 35 C LIG 1 5.990 0.932 0.586 0.00 0.00 -0.018 A ATOM 36 C LIG 1 5.005 -0.060 0.743 0.00 0.00 +0.010 A ATOM 37 C LIG 1 3.732 0.255 1.226 0.00 0.00 +0.029 A BRANCH 35 38 ATOM 38 C LIG 1 7.329 0.594 0.076 0.00 0.00 -0.018 A ATOM 39 C LIG 1 8.096 -0.422 0.670 0.00 0.00 +0.008 A ATOM 40 C LIG 1 9.367 -0.744 0.186 0.00 0.00 +0.001 A ATOM 41 C LIG 1 9.894 -0.053 -0.902 0.00 0.00 +0.000 A ATOM 42 C LIG 1 9.151 0.958 -1.506 0.00 0.00 +0.001 A ATOM 43 C LIG 1 7.880 1.279 -1.020 0.00 0.00 +0.008 A ENDBRANCH 35 38 ENDBRANCH 29 32 ENDBRANCH 27 29 ENDBRANCH 6 27 TORSDOF 9