REMARK Name = BDB024628 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.553 -0.882 -0.135 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.346 -1.604 -0.150 0.00 0.00 -0.234 N ATOM 3 C LIG 1 4.368 -3.080 -0.308 0.00 0.00 +0.082 C ATOM 4 C LIG 1 4.933 -3.768 0.949 0.00 0.00 +0.028 C ATOM 5 C LIG 1 3.003 -3.722 -0.603 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.197 -2.859 -1.545 0.00 0.00 +0.041 C ATOM 7 C LIG 1 1.996 -1.532 -0.875 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.764 -0.846 -0.943 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.397 -1.225 -1.562 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -1.259 -0.247 -1.367 0.00 0.00 +0.112 A ATOM 11 N LIG 1 -0.699 0.752 -0.591 0.00 0.00 -0.324 N ATOM 12 C LIG 1 0.614 0.396 -0.339 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.667 1.013 0.341 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.890 0.331 0.397 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.079 -0.924 -0.200 0.00 0.00 +0.045 A ATOM 16 O LIG 1 5.671 0.336 -0.053 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.347 1.991 -0.163 0.00 0.00 +0.089 C ATOM 18 C LIG 1 -0.790 3.210 -0.912 0.00 0.00 +0.026 C ATOM 19 C LIG 1 -1.562 4.491 -0.583 0.00 0.00 +0.020 C ATOM 20 C LIG 1 -1.951 4.634 0.900 0.00 0.00 +0.092 C ATOM 21 C LIG 1 -1.185 3.652 1.793 0.00 0.00 +0.020 C ATOM 22 C LIG 1 -1.354 2.189 1.367 0.00 0.00 +0.026 C BRANCH 20 23 ATOM 23 C LIG 1 -3.410 4.472 1.078 0.00 0.00 +0.066 C ATOM 24 N LIG 1 -4.555 4.340 1.208 0.00 0.00 -0.196 NA ENDBRANCH 20 23 ENDBRANCH 11 17 BRANCH 1 26 ATOM 25 C LIG 1 7.899 -1.008 -0.290 0.00 0.00 +0.282 C ATOM 26 O LIG 1 6.646 -1.694 -0.270 0.00 0.00 -0.453 OA ENDBRANCH 1 26 BRANCH 10 27 ATOM 27 C LIG 1 -2.643 -0.256 -1.943 0.00 0.00 +0.093 C BRANCH 27 28 ATOM 28 C LIG 1 -3.565 -1.240 -1.203 0.00 0.00 +0.135 C BRANCH 28 29 ATOM 29 C LIG 1 -3.962 -0.746 0.180 0.00 0.00 -0.033 A ATOM 30 C LIG 1 -4.857 0.322 0.352 0.00 0.00 +0.004 A ATOM 31 C LIG 1 -5.201 0.760 1.632 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -4.655 0.140 2.754 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -3.758 -0.915 2.598 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -3.411 -1.353 1.319 0.00 0.00 +0.004 A ENDBRANCH 28 29 BRANCH 28 35 ATOM 35 C LIG 1 -4.778 -1.519 -2.068 0.00 0.00 +0.313 C ATOM 36 O LIG 1 -5.306 -0.748 -2.856 0.00 0.00 -0.250 OA BRANCH 35 37 ATOM 37 O LIG 1 -5.291 -2.752 -1.881 0.00 0.00 -0.480 OA ATOM 38 H LIG 1 -6.078 -2.780 -2.463 0.00 0.00 +0.295 HD ENDBRANCH 35 37 ENDBRANCH 28 35 ENDBRANCH 27 28 ENDBRANCH 10 27 TORSDOF 8