REMARK Name = BDB005563 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -7.234 0.409 -3.183 0.00 0.00 -0.268 OA ATOM 2 C LIG 1 -6.392 0.442 -2.291 0.00 0.00 +0.254 A ATOM 3 C LIG 1 -6.769 0.459 -0.852 0.00 0.00 +0.038 A ATOM 4 C LIG 1 -8.242 0.440 -0.538 0.00 0.00 +0.044 C ATOM 5 C LIG 1 -8.527 0.121 0.934 0.00 0.00 +0.023 C ATOM 6 C LIG 1 -7.575 0.885 1.846 0.00 0.00 +0.102 C ATOM 7 N LIG 1 -6.198 0.595 1.461 0.00 0.00 -0.343 N ATOM 8 H LIG 1 -5.514 1.079 2.036 0.00 0.00 +0.146 HD ATOM 9 C LIG 1 -5.835 0.512 0.119 0.00 0.00 +0.045 A ATOM 10 C LIG 1 -4.399 0.494 -0.250 0.00 0.00 +0.023 A ATOM 11 C LIG 1 -4.054 0.498 -1.609 0.00 0.00 +0.051 A ATOM 12 C LIG 1 -2.719 0.497 -2.016 0.00 0.00 +0.030 A ATOM 13 C LIG 1 -1.698 0.478 -1.063 0.00 0.00 +0.048 A ATOM 14 C LIG 1 -2.013 0.453 0.294 0.00 0.00 +0.121 A ATOM 15 C LIG 1 -3.357 0.453 0.689 0.00 0.00 +0.057 A ATOM 16 N LIG 1 -5.058 0.483 -2.581 0.00 0.00 -0.322 N ATOM 17 H LIG 1 -4.824 0.469 -3.563 0.00 0.00 +0.169 HD ENDROOT BRANCH 14 18 ATOM 18 O LIG 1 -1.123 0.414 1.331 0.00 0.00 -0.491 OA BRANCH 18 19 ATOM 19 C LIG 1 0.277 0.504 1.048 0.00 0.00 +0.244 C BRANCH 19 20 ATOM 20 C LIG 1 0.872 -0.891 0.777 0.00 0.00 +0.125 C BRANCH 20 21 ATOM 21 N LIG 1 2.318 -0.965 0.532 0.00 0.00 -0.299 NA ATOM 22 C LIG 1 3.121 -0.795 1.748 0.00 0.00 +0.085 C ATOM 23 C LIG 1 4.577 -0.393 1.470 0.00 0.00 +0.023 C ATOM 24 C LIG 1 5.076 -1.018 0.161 0.00 0.00 +0.021 C ATOM 25 C LIG 1 4.181 -0.594 -1.021 0.00 0.00 +0.023 C ATOM 26 C LIG 1 2.783 -0.146 -0.581 0.00 0.00 +0.085 C BRANCH 24 27 ATOM 27 C LIG 1 6.543 -0.734 -0.108 0.00 0.00 -0.044 A ATOM 28 C LIG 1 7.429 -1.799 -0.334 0.00 0.00 +0.004 A ATOM 29 C LIG 1 8.781 -1.561 -0.588 0.00 0.00 +0.000 A ATOM 30 C LIG 1 9.266 -0.256 -0.623 0.00 0.00 +0.000 A ATOM 31 C LIG 1 8.398 0.812 -0.407 0.00 0.00 +0.000 A ATOM 32 C LIG 1 7.046 0.575 -0.152 0.00 0.00 +0.004 A ENDBRANCH 24 27 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 14 18 TORSDOF 5