REMARK Name = BDB051531 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.810 1.400 0.811 0.00 0.00 +0.134 A ATOM 2 C LIG 1 -0.537 1.610 0.452 0.00 0.00 +0.044 A ATOM 3 C LIG 1 -1.455 1.625 1.512 0.00 0.00 +0.080 A ATOM 4 C LIG 1 -2.801 1.854 1.243 0.00 0.00 +0.078 A ATOM 5 C LIG 1 -3.274 2.064 -0.055 0.00 0.00 +0.164 A ATOM 6 C LIG 1 -2.366 1.996 -1.113 0.00 0.00 +0.162 A ATOM 7 N LIG 1 -1.090 1.432 2.782 0.00 0.00 -0.235 NA ATOM 8 C LIG 1 0.210 1.219 3.008 0.00 0.00 +0.223 A ATOM 9 C LIG 1 -1.009 1.794 -0.869 0.00 0.00 +0.062 A ATOM 10 N LIG 1 1.177 1.194 2.088 0.00 0.00 -0.220 NA ENDROOT BRANCH 1 11 ATOM 11 N LIG 1 1.802 1.419 -0.209 0.00 0.00 -0.299 N ATOM 12 H LIG 1 1.696 2.272 -0.748 0.00 0.00 +0.154 HD BRANCH 11 16 ATOM 13 C LIG 1 5.886 0.182 -0.160 0.00 0.00 +0.007 A ATOM 14 C LIG 1 5.414 1.143 -1.065 0.00 0.00 +0.012 A ATOM 15 C LIG 1 4.069 1.545 -1.058 0.00 0.00 +0.024 A ATOM 16 C LIG 1 3.155 1.024 -0.133 0.00 0.00 +0.032 A ATOM 17 C LIG 1 3.614 0.037 0.740 0.00 0.00 +0.024 A ATOM 18 C LIG 1 4.957 -0.367 0.737 0.00 0.00 +0.012 A BRANCH 13 24 ATOM 19 C LIG 1 11.828 -1.682 0.019 0.00 0.00 +0.121 A ATOM 20 C LIG 1 11.050 -0.795 -0.737 0.00 0.00 +0.062 A ATOM 21 C LIG 1 9.683 -0.671 -0.441 0.00 0.00 +0.043 A ATOM 22 C LIG 1 9.083 -1.407 0.578 0.00 0.00 +0.079 A ATOM 23 N LIG 1 7.731 -1.179 0.754 0.00 0.00 -0.239 NA ATOM 24 C LIG 1 7.290 -0.280 -0.107 0.00 0.00 +0.109 A ATOM 25 C LIG 1 9.877 -2.297 1.325 0.00 0.00 +0.032 A ATOM 26 S LIG 1 8.495 0.324 -1.181 0.00 0.00 -0.067 S ATOM 27 C LIG 1 11.244 -2.428 1.040 0.00 0.00 +0.048 A BRANCH 19 29 ATOM 28 C LIG 1 14.004 -2.562 0.416 0.00 0.00 +0.277 C ATOM 29 O LIG 1 13.146 -1.723 -0.348 0.00 0.00 -0.495 OA ENDBRANCH 19 29 ENDBRANCH 13 24 ENDBRANCH 11 16 ENDBRANCH 1 11 BRANCH 6 30 ATOM 30 O LIG 1 -2.736 2.217 -2.415 0.00 0.00 -0.491 OA ATOM 31 C LIG 1 -3.400 1.072 -2.952 0.00 0.00 +0.277 C ENDBRANCH 6 30 BRANCH 5 32 ATOM 32 O LIG 1 -4.579 2.305 -0.381 0.00 0.00 -0.488 OA BRANCH 32 33 ATOM 33 C LIG 1 -5.459 2.813 0.619 0.00 0.00 +0.230 C BRANCH 33 34 ATOM 34 C LIG 1 -6.269 1.712 1.307 0.00 0.00 +0.056 C BRANCH 34 35 ATOM 35 C LIG 1 -7.398 1.123 0.443 0.00 0.00 +0.088 C BRANCH 35 36 ATOM 36 N LIG 1 -6.964 0.431 -0.777 0.00 0.00 -0.300 NA ATOM 37 C LIG 1 -8.109 0.130 -1.664 0.00 0.00 +0.100 C ATOM 38 C LIG 1 -9.020 -1.024 -1.178 0.00 0.00 +0.099 C ATOM 39 N LIG 1 -8.264 -2.264 -0.926 0.00 0.00 -0.303 NA ATOM 40 C LIG 1 -9.133 -3.309 -0.392 0.00 0.00 +0.105 C ATOM 41 C LIG 1 -7.132 -2.000 -0.019 0.00 0.00 +0.099 C ATOM 42 C LIG 1 -6.242 -0.833 -0.512 0.00 0.00 +0.100 C ENDBRANCH 35 36 ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 5 32 TORSDOF 10