REMARK Name = BDB010849 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.955 0.119 0.260 0.00 0.00 +0.149 A ATOM 2 C LIG 1 -1.300 1.238 -0.259 0.00 0.00 +0.128 A ATOM 3 C LIG 1 -1.892 2.490 -0.140 0.00 0.00 +0.184 A ATOM 4 N LIG 1 -1.158 3.459 -0.750 0.00 0.00 -0.212 NA ATOM 5 C LIG 1 -0.132 2.834 -1.282 0.00 0.00 +0.125 A ATOM 6 N LIG 1 -3.063 2.723 0.469 0.00 0.00 -0.203 NA ATOM 7 C LIG 1 -3.627 1.607 0.925 0.00 0.00 +0.203 A ATOM 8 N LIG 1 -0.130 1.493 -0.948 0.00 0.00 -0.323 N ATOM 9 N LIG 1 -3.150 0.343 0.848 0.00 0.00 -0.208 NA ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 -4.937 1.735 1.601 0.00 0.00 +0.220 A ATOM 11 N LIG 1 -5.550 0.625 2.044 0.00 0.00 -0.269 N ATOM 12 H LIG 1 -5.218 -0.321 1.964 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 -6.702 1.012 2.606 0.00 0.00 +0.440 A ATOM 14 O LIG 1 -7.530 0.277 3.119 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 -6.795 2.378 2.509 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 -5.607 2.817 1.837 0.00 0.00 -0.051 NA ENDBRANCH 7 10 BRANCH 5 17 ATOM 17 C LIG 1 0.875 3.583 -2.234 0.00 0.00 +0.077 C ATOM 18 C LIG 1 0.291 4.598 -3.201 0.00 0.00 +0.023 C ATOM 19 C LIG 1 0.791 3.285 -3.719 0.00 0.00 +0.023 C BRANCH 17 20 ATOM 20 C LIG 1 2.283 3.921 -1.616 0.00 0.00 +0.092 A ATOM 21 S LIG 1 2.488 5.089 -0.381 0.00 0.00 -0.080 S ATOM 22 C LIG 1 4.174 4.773 -0.391 0.00 0.00 +0.066 A ATOM 23 C LIG 1 4.459 3.804 -1.329 0.00 0.00 +0.119 A ATOM 24 N LIG 1 3.374 3.310 -2.027 0.00 0.00 -0.251 NA ENDBRANCH 17 20 ENDBRANCH 5 17 BRANCH 1 25 ATOM 25 N LIG 1 -1.468 -1.175 0.179 0.00 0.00 -0.324 N ATOM 26 H LIG 1 -0.462 -1.242 0.145 0.00 0.00 +0.148 HD BRANCH 25 28 ATOM 27 C LIG 1 -1.637 -2.151 2.423 0.00 0.00 +0.028 C ATOM 28 C LIG 1 -2.104 -2.234 0.967 0.00 0.00 +0.072 C BRANCH 28 29 ATOM 29 C LIG 1 -1.693 -3.597 0.380 0.00 0.00 +0.009 C ATOM 30 C LIG 1 -2.210 -3.911 -1.053 0.00 0.00 +0.005 C ATOM 31 C LIG 1 -3.382 -4.673 -0.409 0.00 0.00 +0.001 C ATOM 32 C LIG 1 -2.506 -4.838 0.846 0.00 0.00 +0.005 C ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 1 25 BRANCH 8 33 ATOM 33 C LIG 1 0.881 0.542 -1.374 0.00 0.00 +0.127 C BRANCH 33 34 ATOM 34 C LIG 1 2.134 0.481 -0.473 0.00 0.00 +0.009 C ATOM 35 C LIG 1 3.256 -0.265 -1.227 0.00 0.00 +0.005 C ATOM 36 C LIG 1 4.312 -0.808 -0.272 0.00 0.00 +0.003 C ATOM 37 C LIG 1 3.717 -1.867 0.671 0.00 0.00 -0.014 C ATOM 38 C LIG 1 4.561 -1.975 1.942 0.00 0.00 +0.007 C ATOM 39 C LIG 1 2.237 -1.598 0.998 0.00 0.00 +0.003 C ATOM 40 C LIG 1 1.895 -0.113 0.929 0.00 0.00 +0.005 C ENDBRANCH 33 34 ENDBRANCH 8 33 TORSDOF 8