REMARK Name = BDB042563 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 4.190 -0.615 -0.142 0.00 0.00 -0.324 N ATOM 2 C LIG 1 3.092 -0.374 0.816 0.00 0.00 +0.124 C ATOM 3 C LIG 1 1.733 -0.511 0.100 0.00 0.00 +0.126 C ATOM 4 N LIG 1 1.645 0.295 -1.130 0.00 0.00 -0.298 N ATOM 5 C LIG 1 0.442 0.703 -1.697 0.00 0.00 +0.216 C ATOM 6 O LIG 1 0.370 1.110 -2.857 0.00 0.00 -0.276 OA ATOM 7 C LIG 1 2.810 0.192 -2.024 0.00 0.00 +0.126 C ATOM 8 C LIG 1 4.154 0.324 -1.285 0.00 0.00 +0.124 C ENDROOT BRANCH 1 10 ATOM 9 C LIG 1 6.177 0.224 1.152 0.00 0.00 +0.147 A ATOM 10 C LIG 1 5.457 -0.757 0.447 0.00 0.00 +0.069 A ATOM 11 C LIG 1 6.067 -2.016 0.308 0.00 0.00 +0.026 A ATOM 12 C LIG 1 7.329 -2.286 0.848 0.00 0.00 +0.002 A ATOM 13 C LIG 1 8.017 -1.296 1.542 0.00 0.00 +0.003 A ATOM 14 C LIG 1 7.442 -0.038 1.696 0.00 0.00 +0.043 A BRANCH 9 16 ATOM 15 C LIG 1 5.296 2.599 1.540 0.00 0.00 +0.135 C ATOM 16 N LIG 1 5.674 1.506 1.347 0.00 0.00 -0.348 NA ENDBRANCH 9 16 ENDBRANCH 1 10 BRANCH 5 17 ATOM 17 C LIG 1 -0.789 0.639 -0.810 0.00 0.00 +0.102 C BRANCH 17 18 ATOM 18 C LIG 1 -2.031 1.175 -1.525 0.00 0.00 +0.062 C BRANCH 18 19 ATOM 19 C LIG 1 -3.265 1.063 -0.664 0.00 0.00 +0.020 A ATOM 20 N LIG 1 -3.372 1.932 0.393 0.00 0.00 -0.326 N ATOM 21 H LIG 1 -2.649 2.623 0.563 0.00 0.00 +0.169 HD ATOM 22 C LIG 1 -4.426 1.977 1.279 0.00 0.00 +0.259 A ATOM 23 O LIG 1 -4.428 2.786 2.198 0.00 0.00 -0.267 OA ATOM 24 C LIG 1 -5.522 1.003 1.048 0.00 0.00 +0.082 A ATOM 25 C LIG 1 -5.431 0.110 -0.040 0.00 0.00 -0.005 A ATOM 26 C LIG 1 -6.475 -0.816 -0.265 0.00 0.00 -0.042 A ATOM 27 C LIG 1 -7.582 -0.827 0.602 0.00 0.00 +0.007 A ATOM 28 C LIG 1 -7.657 0.061 1.673 0.00 0.00 +0.039 A ATOM 29 C LIG 1 -6.448 -1.797 -1.407 0.00 0.00 +0.044 C ATOM 30 C LIG 1 -6.630 0.971 1.893 0.00 0.00 +0.136 A ATOM 31 F LIG 1 -6.746 1.804 2.936 0.00 0.00 -0.205 F ATOM 32 C LIG 1 -4.242 0.176 -0.907 0.00 0.00 +0.030 A ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 5 17 TORSDOF 5