REMARK Name = BDB019722 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.060 0.345 -0.292 0.00 0.00 +0.037 A ATOM 2 C LIG 1 2.106 0.665 0.586 0.00 0.00 +0.021 A ATOM 3 C LIG 1 2.970 1.740 0.316 0.00 0.00 +0.006 A ATOM 4 C LIG 1 2.752 2.491 -0.842 0.00 0.00 +0.128 A ATOM 5 F LIG 1 3.545 3.533 -1.126 0.00 0.00 -0.205 F ATOM 6 C LIG 1 1.723 2.177 -1.727 0.00 0.00 +0.039 A ATOM 7 C LIG 1 0.878 1.098 -1.459 0.00 0.00 +0.016 A ENDROOT BRANCH 1 10 ATOM 8 N LIG 1 -1.102 -0.769 -0.440 0.00 0.00 -0.307 N ATOM 9 H LIG 1 -1.471 0.103 -0.794 0.00 0.00 +0.149 HD ATOM 10 C LIG 1 0.188 -0.816 0.040 0.00 0.00 +0.244 C ATOM 11 O LIG 1 0.616 -1.732 0.734 0.00 0.00 -0.270 OA BRANCH 8 12 ATOM 12 C LIG 1 -2.049 -1.797 -0.079 0.00 0.00 +0.140 C BRANCH 12 17 ATOM 13 C LIG 1 -4.740 -1.813 -2.777 0.00 0.00 +0.124 A ATOM 14 C LIG 1 -5.770 -1.127 -2.134 0.00 0.00 +0.091 A ATOM 15 C LIG 1 -5.608 -0.658 -0.824 0.00 0.00 +0.124 A ATOM 16 C LIG 1 -4.404 -0.883 -0.154 0.00 0.00 +0.051 A ATOM 17 C LIG 1 -3.361 -1.580 -0.783 0.00 0.00 -0.023 A ATOM 18 C LIG 1 -3.538 -2.030 -2.100 0.00 0.00 +0.051 A BRANCH 13 20 ATOM 19 C LIG 1 -6.005 -2.186 -4.754 0.00 0.00 +0.277 C ATOM 20 O LIG 1 -4.776 -2.314 -4.050 0.00 0.00 -0.495 OA ENDBRANCH 13 20 BRANCH 15 21 ATOM 21 O LIG 1 -6.696 0.001 -0.319 0.00 0.00 -0.495 OA ATOM 22 C LIG 1 -6.587 0.512 1.004 0.00 0.00 +0.277 C ENDBRANCH 15 21 ENDBRANCH 12 17 ENDBRANCH 8 12 ENDBRANCH 1 10 BRANCH 3 23 ATOM 23 C LIG 1 4.085 2.099 1.265 0.00 0.00 +0.142 C BRANCH 23 24 ATOM 24 N LIG 1 4.892 0.925 1.544 0.00 0.00 -0.313 N ATOM 25 H LIG 1 5.205 0.454 0.704 0.00 0.00 +0.149 HD BRANCH 24 26 ATOM 26 C LIG 1 5.849 0.973 2.496 0.00 0.00 +0.176 C ATOM 27 N LIG 1 6.660 -0.118 2.510 0.00 0.00 -0.316 N ATOM 28 H LIG 1 6.159 -0.987 2.367 0.00 0.00 +0.149 HD ATOM 29 C LIG 1 7.424 -0.054 3.739 0.00 0.00 +0.127 C ATOM 30 C LIG 1 7.229 1.410 4.146 0.00 0.00 +0.163 C ATOM 31 N LIG 1 6.046 1.900 3.384 0.00 0.00 -0.255 NA ENDBRANCH 24 26 ENDBRANCH 23 24 ENDBRANCH 3 23 TORSDOF 8