REMARK Name = BDB058316 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.798 1.382 -0.075 0.00 0.00 +0.113 A ATOM 2 N LIG 1 0.826 0.253 0.717 0.00 0.00 -0.292 N ATOM 3 C LIG 1 1.683 -0.786 0.405 0.00 0.00 +0.258 A ATOM 4 O LIG 1 1.699 -1.867 0.993 0.00 0.00 -0.267 OA ATOM 5 C LIG 1 2.616 -0.563 -0.722 0.00 0.00 +0.049 A ATOM 6 C LIG 1 2.487 0.578 -1.417 0.00 0.00 +0.055 A ATOM 7 N LIG 1 1.566 1.538 -1.104 0.00 0.00 -0.238 NA ENDROOT BRANCH 6 8 ATOM 8 C LIG 1 3.347 0.954 -2.561 0.00 0.00 +0.038 C ATOM 9 C LIG 1 3.201 0.217 -3.872 0.00 0.00 +0.010 C ATOM 10 C LIG 1 2.748 1.641 -3.766 0.00 0.00 +0.010 C ENDBRANCH 6 8 BRANCH 1 11 ATOM 11 C LIG 1 -0.222 2.479 0.233 0.00 0.00 +0.074 C BRANCH 11 12 ATOM 12 C LIG 1 0.010 3.811 -0.488 0.00 0.00 +0.007 C BRANCH 12 14 ATOM 13 C LIG 1 1.201 5.000 1.436 0.00 0.00 +0.004 C ATOM 14 C LIG 1 1.249 4.586 -0.027 0.00 0.00 -0.003 C ENDBRANCH 12 14 ENDBRANCH 11 12 ENDBRANCH 1 11 BRANCH 2 15 ATOM 15 C LIG 1 -0.030 0.066 1.891 0.00 0.00 +0.161 C BRANCH 15 16 ATOM 16 C LIG 1 -1.477 -0.237 1.557 0.00 0.00 -0.028 A ATOM 17 C LIG 1 -2.508 0.411 2.252 0.00 0.00 +0.006 A ATOM 18 C LIG 1 -3.847 0.138 1.959 0.00 0.00 +0.009 A ATOM 19 C LIG 1 -4.189 -0.790 0.964 0.00 0.00 -0.017 A ATOM 20 C LIG 1 -3.156 -1.466 0.299 0.00 0.00 +0.009 A ATOM 21 C LIG 1 -1.817 -1.198 0.596 0.00 0.00 +0.006 A BRANCH 19 22 ATOM 22 C LIG 1 -5.595 -1.040 0.618 0.00 0.00 -0.007 A ATOM 23 C LIG 1 -6.183 -0.652 -0.607 0.00 0.00 +0.028 A ATOM 24 C LIG 1 -7.517 -1.000 -0.885 0.00 0.00 +0.012 A ATOM 25 C LIG 1 -8.281 -1.703 0.046 0.00 0.00 +0.001 A ATOM 26 C LIG 1 -7.719 -2.071 1.263 0.00 0.00 +0.001 A ATOM 27 C LIG 1 -6.391 -1.746 1.543 0.00 0.00 +0.009 A BRANCH 23 28 ATOM 28 C LIG 1 -5.487 0.123 -1.657 0.00 0.00 +0.183 A ATOM 29 N LIG 1 -4.533 1.017 -1.366 0.00 0.00 -0.271 N ATOM 30 H LIG 1 -4.146 1.281 -0.478 0.00 0.00 +0.174 HD ATOM 31 C LIG 1 -4.128 1.550 -2.527 0.00 0.00 +0.440 A ATOM 32 O LIG 1 -3.266 2.404 -2.658 0.00 0.00 -0.221 OA ATOM 33 O LIG 1 -4.853 0.980 -3.542 0.00 0.00 -0.295 OA ATOM 34 N LIG 1 -5.745 0.049 -2.921 0.00 0.00 -0.054 NA ENDBRANCH 23 28 ENDBRANCH 19 22 ENDBRANCH 15 16 ENDBRANCH 2 15 BRANCH 5 35 ATOM 35 C LIG 1 3.630 -1.642 -0.966 0.00 0.00 +0.163 C BRANCH 35 36 ATOM 36 C LIG 1 4.623 -1.696 0.180 0.00 0.00 +0.312 C ATOM 37 O LIG 1 4.871 -0.778 0.950 0.00 0.00 -0.250 OA BRANCH 36 38 ATOM 38 O LIG 1 5.243 -2.912 0.184 0.00 0.00 -0.462 OA BRANCH 38 39 ATOM 39 C LIG 1 6.212 -3.124 1.227 0.00 0.00 +0.170 C ATOM 40 C LIG 1 5.499 -3.555 2.505 0.00 0.00 +0.052 C ATOM 41 C LIG 1 7.159 -4.216 0.745 0.00 0.00 +0.052 C ENDBRANCH 38 39 ENDBRANCH 36 38 ENDBRANCH 35 36 ENDBRANCH 5 35 TORSDOF 12