REMARK Name = BDB002922 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.732 -0.389 0.470 0.00 0.00 +0.000 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.453 0.528 0.151 0.00 0.00 -0.000 C BRANCH 2 3 ATOM 3 C LIG 1 1.474 0.707 1.279 0.00 0.00 -0.000 C BRANCH 3 4 ATOM 4 C LIG 1 2.122 -0.582 1.794 0.00 0.00 -0.000 C BRANCH 4 5 ATOM 5 C LIG 1 2.856 -1.420 0.743 0.00 0.00 -0.000 C BRANCH 5 6 ATOM 6 C LIG 1 3.962 -0.699 -0.035 0.00 0.00 -0.000 C BRANCH 6 7 ATOM 7 C LIG 1 5.101 -0.195 0.855 0.00 0.00 -0.000 C BRANCH 7 8 ATOM 8 C LIG 1 6.206 0.527 0.077 0.00 0.00 -0.000 C BRANCH 8 9 ATOM 9 C LIG 1 6.997 -0.392 -0.856 0.00 0.00 -0.000 C BRANCH 9 11 ATOM 10 C LIG 1 8.948 -0.552 -2.444 0.00 0.00 +0.004 C ATOM 11 C LIG 1 8.160 0.354 -1.512 0.00 0.00 -0.003 C ENDBRANCH 9 11 ENDBRANCH 8 9 ENDBRANCH 7 8 ENDBRANCH 6 7 ENDBRANCH 5 6 ENDBRANCH 4 5 ENDBRANCH 3 4 ENDBRANCH 2 3 ENDBRANCH 1 2 BRANCH 1 12 ATOM 12 C LIG 1 -1.575 0.019 1.682 0.00 0.00 +0.000 C BRANCH 12 13 ATOM 13 C LIG 1 -2.183 1.424 1.623 0.00 0.00 +0.000 C BRANCH 13 14 ATOM 14 C LIG 1 -3.070 1.714 0.408 0.00 0.00 +0.002 C BRANCH 14 15 ATOM 15 C LIG 1 -4.285 0.792 0.309 0.00 0.00 +0.022 C BRANCH 15 16 ATOM 16 C LIG 1 -5.190 1.190 -0.852 0.00 0.00 +0.122 C BRANCH 16 17 ATOM 17 N LIG 1 -6.351 0.300 -0.941 0.00 0.00 -0.338 N ATOM 18 C LIG 1 -7.504 0.485 -0.279 0.00 0.00 +0.176 A ATOM 19 N LIG 1 -8.325 -0.523 -0.606 0.00 0.00 -0.341 N ATOM 20 C LIG 1 -9.680 -0.693 -0.096 0.00 0.00 +0.149 C ATOM 21 C LIG 1 -7.685 -1.371 -1.495 0.00 0.00 +0.104 A ATOM 22 C LIG 1 -6.440 -0.851 -1.708 0.00 0.00 +0.104 A ENDBRANCH 16 17 ENDBRANCH 15 16 ENDBRANCH 14 15 ENDBRANCH 13 14 ENDBRANCH 12 13 ENDBRANCH 1 12 TORSDOF 15