REMARK Name = BDB025109 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.368 0.769 -0.349 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.076 1.323 -0.349 0.00 0.00 -0.234 N ATOM 3 C LIG 1 3.990 2.793 -0.479 0.00 0.00 +0.082 C ATOM 4 C LIG 1 4.351 3.253 -1.901 0.00 0.00 +0.028 C ATOM 5 C LIG 1 2.623 3.397 -0.118 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.001 2.657 1.047 0.00 0.00 +0.041 C ATOM 7 C LIG 1 1.828 1.226 0.624 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.659 0.494 0.920 0.00 0.00 +0.095 A ATOM 9 N LIG 1 -0.450 0.900 1.610 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -1.289 -0.117 1.595 0.00 0.00 +0.116 A ATOM 11 N LIG 1 -0.723 -1.224 0.965 0.00 0.00 -0.296 N ATOM 12 C LIG 1 0.526 -0.824 0.500 0.00 0.00 +0.074 A ATOM 13 C LIG 1 1.559 -1.481 -0.182 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.721 -0.750 -0.464 0.00 0.00 +0.026 A ATOM 15 C LIG 1 2.881 0.583 -0.065 0.00 0.00 +0.045 A ATOM 16 O LIG 1 6.383 1.415 -0.604 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.299 -2.512 0.803 0.00 0.00 +0.050 A ATOM 18 C LIG 1 -1.233 -3.154 -0.441 0.00 0.00 +0.045 A ATOM 19 C LIG 1 -1.818 -4.415 -0.609 0.00 0.00 +0.054 A ATOM 20 C LIG 1 -2.462 -5.033 0.468 0.00 0.00 +0.019 A ATOM 21 C LIG 1 -2.521 -4.396 1.708 0.00 0.00 +0.003 A ATOM 22 C LIG 1 -1.940 -3.138 1.879 0.00 0.00 +0.026 A BRANCH 19 23 ATOM 23 C LIG 1 -1.766 -5.067 -1.885 0.00 0.00 +0.099 C ATOM 24 N LIG 1 -1.722 -5.592 -2.918 0.00 0.00 -0.191 NA ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 26 ATOM 25 C LIG 1 6.742 -1.087 0.088 0.00 0.00 +0.282 C ATOM 26 O LIG 1 5.424 -0.540 0.030 0.00 0.00 -0.453 OA ENDBRANCH 1 26 BRANCH 10 27 ATOM 27 C LIG 1 -2.704 0.005 2.086 0.00 0.00 +0.094 C BRANCH 27 28 ATOM 28 C LIG 1 -3.778 -0.183 0.999 0.00 0.00 +0.135 C BRANCH 28 29 ATOM 29 C LIG 1 -3.657 0.665 -0.260 0.00 0.00 -0.033 A ATOM 30 C LIG 1 -4.062 0.122 -1.491 0.00 0.00 +0.004 A ATOM 31 C LIG 1 -3.970 0.868 -2.667 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -3.477 2.169 -2.630 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -3.082 2.726 -1.416 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -3.176 1.982 -0.238 0.00 0.00 +0.004 A ENDBRANCH 28 29 BRANCH 28 35 ATOM 35 C LIG 1 -5.138 -0.031 1.649 0.00 0.00 +0.313 C ATOM 36 O LIG 1 -5.932 -0.938 1.845 0.00 0.00 -0.250 OA BRANCH 35 37 ATOM 37 O LIG 1 -5.427 1.221 2.053 0.00 0.00 -0.480 OA ATOM 38 H LIG 1 -6.338 1.163 2.409 0.00 0.00 +0.295 HD ENDBRANCH 35 37 ENDBRANCH 28 35 ENDBRANCH 27 28 ENDBRANCH 10 27 TORSDOF 8