REMARK Name = BDB009495 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.106 -0.985 -2.089 0.00 0.00 +0.247 C ATOM 2 N LIG 1 2.807 -0.622 -1.749 0.00 0.00 -0.295 N ATOM 3 C LIG 1 1.742 -0.953 -2.701 0.00 0.00 +0.127 C ATOM 4 C LIG 1 0.379 -0.360 -2.318 0.00 0.00 +0.127 C ATOM 5 N LIG 1 0.001 -0.707 -0.940 0.00 0.00 -0.294 N ATOM 6 C LIG 1 -1.273 -1.008 -0.487 0.00 0.00 +0.249 C ATOM 7 O LIG 1 -1.546 -1.116 0.705 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 1.077 -0.682 0.053 0.00 0.00 +0.127 C ATOM 9 C LIG 1 2.388 -0.070 -0.454 0.00 0.00 +0.127 C ATOM 10 O LIG 1 4.390 -1.613 -3.103 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 15 ATOM 11 N LIG 1 8.090 0.670 1.414 0.00 0.00 -0.241 N ATOM 12 C LIG 1 7.227 0.000 0.583 0.00 0.00 +0.089 A ATOM 13 C LIG 1 6.490 1.026 0.005 0.00 0.00 +0.113 A ATOM 14 C LIG 1 5.463 0.729 -0.901 0.00 0.00 +0.044 A ATOM 15 C LIG 1 5.209 -0.616 -1.179 0.00 0.00 +0.039 A ATOM 16 C LIG 1 5.983 -1.641 -0.619 0.00 0.00 +0.015 A ATOM 17 N LIG 1 6.938 2.231 0.470 0.00 0.00 -0.129 NA ATOM 18 C LIG 1 7.011 -1.351 0.287 0.00 0.00 +0.030 A ATOM 19 N LIG 1 7.921 2.005 1.332 0.00 0.00 -0.064 NA BRANCH 11 21 ATOM 20 C LIG 1 10.508 0.456 1.870 0.00 0.00 +0.032 C ATOM 21 C LIG 1 9.086 0.110 2.317 0.00 0.00 +0.103 C ATOM 22 C LIG 1 8.837 0.528 3.763 0.00 0.00 +0.032 C ENDBRANCH 11 21 ENDBRANCH 1 15 BRANCH 6 23 ATOM 23 C LIG 1 -2.380 -1.189 -1.439 0.00 0.00 +0.072 A ATOM 24 C LIG 1 -2.356 -2.218 -2.373 0.00 0.00 +0.135 A ATOM 25 F LIG 1 -1.285 -3.012 -2.493 0.00 0.00 -0.205 F ATOM 26 C LIG 1 -3.447 -2.432 -3.209 0.00 0.00 +0.039 A ATOM 27 C LIG 1 -4.578 -1.621 -3.094 0.00 0.00 +0.007 A ATOM 28 C LIG 1 -4.626 -0.589 -2.144 0.00 0.00 -0.041 A ATOM 29 C LIG 1 -3.520 -0.385 -1.307 0.00 0.00 +0.020 A BRANCH 28 30 ATOM 30 C LIG 1 -5.874 0.255 -1.993 0.00 0.00 +0.092 C BRANCH 30 31 ATOM 31 C LIG 1 -6.810 -0.284 -0.911 0.00 0.00 +0.069 A ATOM 32 C LIG 1 -6.981 0.470 0.366 0.00 0.00 -0.016 A ATOM 33 C LIG 1 -6.371 1.832 0.554 0.00 0.00 +0.037 C ATOM 34 C LIG 1 -6.904 2.579 1.786 0.00 0.00 +0.005 C ATOM 35 C LIG 1 -7.016 1.651 2.989 0.00 0.00 +0.005 C ATOM 36 C LIG 1 -7.958 0.480 2.681 0.00 0.00 +0.041 C ATOM 37 C LIG 1 -7.724 -0.119 1.321 0.00 0.00 +0.023 A ATOM 38 C LIG 1 -8.389 -1.418 1.051 0.00 0.00 +0.268 A ATOM 39 O LIG 1 -9.082 -1.977 1.895 0.00 0.00 -0.266 OA ATOM 40 N LIG 1 -8.207 -1.933 -0.203 0.00 0.00 -0.243 N ATOM 41 H LIG 1 -8.646 -2.825 -0.406 0.00 0.00 +0.192 HD ATOM 42 N LIG 1 -7.410 -1.407 -1.169 0.00 0.00 -0.175 NA ENDBRANCH 30 31 ENDBRANCH 28 30 ENDBRANCH 6 23 TORSDOF 5