REMARK Name = BDB058260 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.531 0.233 -0.352 0.00 0.00 +0.035 A ATOM 2 C LIG 1 5.070 0.742 -1.575 0.00 0.00 +0.027 A ATOM 3 C LIG 1 3.770 0.466 -1.974 0.00 0.00 -0.038 A ATOM 4 C LIG 1 3.102 0.862 -3.254 0.00 0.00 +0.040 C ATOM 5 C LIG 1 1.619 0.616 -2.932 0.00 0.00 +0.067 C ATOM 6 C LIG 1 1.585 -0.473 -1.848 0.00 0.00 +0.216 C ATOM 7 C LIG 1 0.387 -0.355 -0.946 0.00 0.00 +0.273 C ATOM 8 O LIG 1 0.081 0.585 -0.227 0.00 0.00 -0.270 OA ATOM 9 N LIG 1 -0.318 -1.502 -1.098 0.00 0.00 -0.195 N ATOM 10 C LIG 1 0.289 -2.324 -1.980 0.00 0.00 +0.411 C ATOM 11 O LIG 1 -0.095 -3.427 -2.331 0.00 0.00 -0.226 OA ATOM 12 O LIG 1 1.453 -1.768 -2.426 0.00 0.00 -0.429 OA ATOM 13 C LIG 1 2.921 -0.314 -1.183 0.00 0.00 +0.008 A ATOM 14 C LIG 1 3.370 -0.849 0.015 0.00 0.00 +0.010 A ATOM 15 C LIG 1 4.678 -0.566 0.428 0.00 0.00 +0.024 A ENDROOT BRANCH 1 20 ATOM 16 C LIG 1 9.667 0.361 2.282 0.00 0.00 +0.129 C ATOM 17 N LIG 1 8.817 0.633 1.148 0.00 0.00 -0.302 N ATOM 18 H LIG 1 9.237 0.495 0.242 0.00 0.00 +0.150 HD ATOM 19 C LIG 1 7.478 0.285 1.216 0.00 0.00 +0.304 C ATOM 20 N LIG 1 6.856 0.541 0.014 0.00 0.00 -0.269 N ATOM 21 H LIG 1 7.373 1.135 -0.617 0.00 0.00 +0.156 HD ATOM 22 O LIG 1 6.967 -0.176 2.228 0.00 0.00 -0.253 OA ENDBRANCH 1 20 BRANCH 9 23 ATOM 23 C LIG 1 -1.589 -1.757 -0.456 0.00 0.00 +0.215 C BRANCH 23 24 ATOM 24 C LIG 1 -2.655 -0.938 -1.192 0.00 0.00 +0.234 C ATOM 25 N LIG 1 -3.499 -0.092 -0.481 0.00 0.00 -0.284 N ATOM 26 C LIG 1 -4.692 0.436 -1.212 0.00 0.00 +0.180 C ATOM 27 C LIG 1 -5.312 1.692 -0.564 0.00 0.00 +0.036 C ATOM 28 C LIG 1 -6.090 1.475 0.738 0.00 0.00 +0.037 C ATOM 29 C LIG 1 -5.485 0.641 1.845 0.00 0.00 -0.043 A ATOM 30 C LIG 1 -4.156 0.180 1.882 0.00 0.00 -0.027 A ATOM 31 C LIG 1 -3.734 -0.609 2.973 0.00 0.00 +0.005 A ATOM 32 C LIG 1 -4.602 -0.927 4.016 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -5.909 -0.465 3.987 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -6.344 0.308 2.912 0.00 0.00 +0.004 A ATOM 35 C LIG 1 -3.150 0.502 0.809 0.00 0.00 +0.143 C ATOM 36 O LIG 1 -2.753 -1.035 -2.421 0.00 0.00 -0.274 OA BRANCH 26 37 ATOM 37 C LIG 1 -5.780 -0.631 -1.519 0.00 0.00 +0.408 C ATOM 38 F LIG 1 -5.307 -1.691 -2.210 0.00 0.00 -0.169 F ATOM 39 F LIG 1 -6.353 -1.118 -0.394 0.00 0.00 -0.169 F ATOM 40 F LIG 1 -6.772 -0.083 -2.263 0.00 0.00 -0.169 F ENDBRANCH 26 37 ENDBRANCH 23 24 ENDBRANCH 9 23 TORSDOF 4