REMARK Name = BDB048465 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.089 -2.210 -0.099 0.00 0.00 +0.100 A ATOM 2 C LIG 1 1.291 -1.867 0.064 0.00 0.00 +0.029 A ATOM 3 C LIG 1 1.639 -2.357 1.319 0.00 0.00 +0.066 A ATOM 4 C LIG 1 2.916 -2.219 1.871 0.00 0.00 +0.029 A ATOM 5 C LIG 1 3.871 -1.548 1.101 0.00 0.00 +0.026 A ATOM 6 C LIG 1 3.553 -1.045 -0.160 0.00 0.00 +0.049 A ATOM 7 N LIG 1 0.498 -2.932 1.806 0.00 0.00 -0.276 N ATOM 8 H LIG 1 0.368 -3.384 2.703 0.00 0.00 +0.189 HD ATOM 9 C LIG 1 2.267 -1.186 -0.692 0.00 0.00 +0.036 A ATOM 10 N LIG 1 -0.552 -2.868 0.976 0.00 0.00 -0.173 NA ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -3.087 -1.104 -2.098 0.00 0.00 +0.034 A ATOM 12 C LIG 1 -2.244 -1.391 -1.022 0.00 0.00 +0.033 A ATOM 13 C LIG 1 -0.962 -1.928 -1.237 0.00 0.00 +0.004 A ATOM 14 C LIG 1 -0.537 -2.195 -2.543 0.00 0.00 +0.010 A ATOM 15 C LIG 1 -1.375 -1.919 -3.622 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -2.641 -1.375 -3.398 0.00 0.00 +0.023 A BRANCH 11 18 ATOM 17 C LIG 1 -5.018 -0.158 -0.804 0.00 0.00 +0.218 C ATOM 18 N LIG 1 -4.379 -0.552 -1.968 0.00 0.00 -0.285 N ATOM 19 H LIG 1 -4.883 -0.406 -2.833 0.00 0.00 +0.155 HD ATOM 20 O LIG 1 -4.575 -0.223 0.336 0.00 0.00 -0.275 OA BRANCH 17 21 ATOM 21 C LIG 1 -6.411 0.381 -1.089 0.00 0.00 +0.107 C BRANCH 21 22 ATOM 22 C LIG 1 -7.079 0.955 0.156 0.00 0.00 +0.130 C BRANCH 22 23 ATOM 23 C LIG 1 -6.406 2.183 0.727 0.00 0.00 +0.307 C ATOM 24 O LIG 1 -6.598 2.579 1.871 0.00 0.00 -0.251 OA BRANCH 23 26 ATOM 25 C LIG 1 -4.974 3.984 0.307 0.00 0.00 +0.280 C ATOM 26 O LIG 1 -5.648 2.831 -0.199 0.00 0.00 -0.468 OA ENDBRANCH 23 26 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 17 21 ENDBRANCH 11 18 ENDBRANCH 1 13 BRANCH 6 27 ATOM 27 N LIG 1 4.549 -0.343 -0.893 0.00 0.00 -0.216 N ATOM 28 H LIG 1 4.703 -0.621 -1.861 0.00 0.00 +0.174 HD BRANCH 27 29 ATOM 29 S LIG 1 4.606 1.341 -0.741 0.00 0.00 +0.072 S ATOM 30 O LIG 1 5.515 1.799 -1.772 0.00 0.00 -0.150 OA ATOM 31 O LIG 1 3.260 1.864 -0.656 0.00 0.00 -0.150 OA BRANCH 29 32 ATOM 32 C LIG 1 5.416 1.564 0.821 0.00 0.00 +0.108 A ATOM 33 C LIG 1 4.663 1.892 1.952 0.00 0.00 +0.029 A ATOM 34 C LIG 1 5.308 2.078 3.175 0.00 0.00 +0.002 A ATOM 35 C LIG 1 6.695 1.945 3.260 0.00 0.00 +0.000 A ATOM 36 C LIG 1 7.444 1.632 2.124 0.00 0.00 +0.002 A ATOM 37 C LIG 1 6.807 1.444 0.898 0.00 0.00 +0.029 A ENDBRANCH 29 32 ENDBRANCH 27 29 ENDBRANCH 6 27 TORSDOF 9