REMARK Name = BDB022742 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.511 -3.117 1.519 0.00 0.00 +0.095 A ATOM 2 C LIG 1 0.850 -3.705 2.628 0.00 0.00 +0.150 A ATOM 3 N LIG 1 -0.475 -3.662 2.517 0.00 0.00 -0.155 NA ATOM 4 N LIG 1 -0.682 -3.035 1.345 0.00 0.00 -0.265 N ATOM 5 C LIG 1 0.475 -2.691 0.705 0.00 0.00 +0.123 A ENDROOT BRANCH 1 8 ATOM 6 N LIG 1 3.310 -2.096 0.336 0.00 0.00 -0.306 N ATOM 7 H LIG 1 2.629 -1.480 -0.092 0.00 0.00 +0.149 HD ATOM 8 C LIG 1 2.941 -3.011 1.287 0.00 0.00 +0.249 C ATOM 9 O LIG 1 3.760 -3.691 1.900 0.00 0.00 -0.270 OA BRANCH 6 10 ATOM 10 C LIG 1 4.698 -1.812 0.046 0.00 0.00 +0.163 C BRANCH 10 14 ATOM 11 C LIG 1 6.246 0.773 -2.240 0.00 0.00 +0.158 A ATOM 12 C LIG 1 6.108 -0.268 -1.323 0.00 0.00 +0.187 A ATOM 13 F LIG 1 7.192 -0.848 -0.785 0.00 0.00 -0.200 F ATOM 14 C LIG 1 4.838 -0.695 -0.958 0.00 0.00 +0.097 A ATOM 15 N LIG 1 3.701 -0.138 -1.471 0.00 0.00 -0.255 NA ATOM 16 C LIG 1 3.861 0.863 -2.364 0.00 0.00 +0.115 A ATOM 17 C LIG 1 5.095 1.348 -2.776 0.00 0.00 +0.068 A BRANCH 11 19 ATOM 18 C LIG 1 7.705 2.295 -3.350 0.00 0.00 +0.277 C ATOM 19 O LIG 1 7.530 1.135 -2.542 0.00 0.00 -0.492 OA ENDBRANCH 11 19 ENDBRANCH 10 14 ENDBRANCH 6 10 ENDBRANCH 1 8 BRANCH 2 20 ATOM 20 N LIG 1 1.471 -4.256 3.680 0.00 0.00 -0.341 N ATOM 21 H LIG 1 0.924 -4.886 4.256 0.00 0.00 +0.144 HD ATOM 22 H LIG 1 2.446 -4.534 3.575 0.00 0.00 +0.144 HD ENDBRANCH 2 20 BRANCH 4 23 ATOM 23 C LIG 1 -2.041 -2.851 0.850 0.00 0.00 +0.178 C BRANCH 23 24 ATOM 24 C LIG 1 -2.446 -1.398 0.836 0.00 0.00 -0.026 A ATOM 25 C LIG 1 -2.608 -0.693 2.038 0.00 0.00 +0.006 A ATOM 26 C LIG 1 -3.003 0.648 2.029 0.00 0.00 +0.006 A ATOM 27 C LIG 1 -3.241 1.313 0.817 0.00 0.00 -0.028 A ATOM 28 C LIG 1 -3.071 0.610 -0.384 0.00 0.00 +0.006 A ATOM 29 C LIG 1 -2.681 -0.733 -0.376 0.00 0.00 +0.006 A BRANCH 27 30 ATOM 30 C LIG 1 -3.684 2.759 0.800 0.00 0.00 +0.160 C BRANCH 30 31 ATOM 31 N LIG 1 -5.084 2.913 0.407 0.00 0.00 -0.311 N ATOM 32 C LIG 1 -5.374 3.291 -0.906 0.00 0.00 +0.252 A ATOM 33 O LIG 1 -4.537 3.522 -1.776 0.00 0.00 -0.268 OA ATOM 34 C LIG 1 -6.820 3.410 -1.246 0.00 0.00 +0.070 A ATOM 35 C LIG 1 -7.755 3.144 -0.326 0.00 0.00 +0.007 A ATOM 36 C LIG 1 -7.376 2.743 1.005 0.00 0.00 +0.018 A ATOM 37 C LIG 1 -6.082 2.640 1.331 0.00 0.00 +0.089 A ENDBRANCH 30 31 ENDBRANCH 27 30 ENDBRANCH 23 24 ENDBRANCH 4 23 TORSDOF 9