REMARK Name = BDB011562 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.316 -1.335 -0.281 0.00 0.00 +0.241 C ATOM 2 N LIG 1 0.018 -1.693 0.057 0.00 0.00 -0.257 N ATOM 3 C LIG 1 -1.239 -1.022 -0.389 0.00 0.00 +0.177 C ATOM 4 C LIG 1 -2.406 -2.007 -0.065 0.00 0.00 +0.019 C ATOM 5 C LIG 1 -3.665 -1.361 0.529 0.00 0.00 +0.018 C ATOM 6 C LIG 1 -2.794 -2.779 -1.341 0.00 0.00 +0.018 C ATOM 7 C LIG 1 -1.725 -2.952 0.900 0.00 0.00 -0.018 A ATOM 8 C LIG 1 -2.313 -3.946 1.675 0.00 0.00 +0.006 A ATOM 9 C LIG 1 -1.493 -4.759 2.457 0.00 0.00 +0.000 A ATOM 10 C LIG 1 -0.104 -4.581 2.449 0.00 0.00 +0.002 A ATOM 11 C LIG 1 0.482 -3.584 1.665 0.00 0.00 +0.024 A ATOM 12 C LIG 1 -0.338 -2.769 0.901 0.00 0.00 +0.041 A ATOM 13 O LIG 1 2.317 -1.838 0.239 0.00 0.00 -0.273 OA ENDROOT BRANCH 3 14 ATOM 14 C LIG 1 -1.386 0.344 0.324 0.00 0.00 +0.239 C ATOM 15 N LIG 1 -0.902 0.375 1.615 0.00 0.00 -0.279 N ATOM 16 H LIG 1 -0.311 -0.406 1.899 0.00 0.00 +0.155 HD ATOM 17 O LIG 1 -1.946 1.265 -0.264 0.00 0.00 -0.273 OA BRANCH 15 18 ATOM 18 C LIG 1 -0.979 1.422 2.563 0.00 0.00 +0.105 A ATOM 19 C LIG 1 -0.137 1.308 3.678 0.00 0.00 +0.147 A ATOM 20 F LIG 1 0.670 0.240 3.782 0.00 0.00 -0.203 F ATOM 21 C LIG 1 -0.099 2.274 4.681 0.00 0.00 +0.040 A ATOM 22 C LIG 1 -0.929 3.387 4.593 0.00 0.00 +0.006 A ATOM 23 C LIG 1 -1.795 3.511 3.507 0.00 0.00 +0.040 A ATOM 24 C LIG 1 -1.822 2.534 2.507 0.00 0.00 +0.147 A ATOM 25 F LIG 1 -2.731 2.689 1.537 0.00 0.00 -0.203 F ENDBRANCH 15 18 ENDBRANCH 3 14 BRANCH 1 26 ATOM 26 C LIG 1 1.501 -0.288 -1.416 0.00 0.00 +0.162 C BRANCH 26 28 ATOM 27 C LIG 1 3.218 1.637 -1.349 0.00 0.00 +0.230 C ATOM 28 N LIG 1 2.809 0.340 -1.222 0.00 0.00 -0.302 N ATOM 29 H LIG 1 3.562 -0.284 -0.940 0.00 0.00 +0.150 HD ATOM 30 O LIG 1 4.418 1.877 -1.201 0.00 0.00 -0.274 OA BRANCH 27 31 ATOM 31 C LIG 1 2.168 2.736 -1.641 0.00 0.00 +0.137 C ATOM 32 C LIG 1 2.866 3.968 -2.218 0.00 0.00 +0.034 C BRANCH 31 34 ATOM 33 C LIG 1 0.242 3.825 -0.615 0.00 0.00 +0.101 C ATOM 34 N LIG 1 1.463 3.065 -0.382 0.00 0.00 -0.309 NA ATOM 35 H LIG 1 1.231 2.209 0.118 0.00 0.00 +0.122 HD ENDBRANCH 31 34 ENDBRANCH 27 31 ENDBRANCH 26 28 BRANCH 26 36 ATOM 36 C LIG 1 1.375 -0.985 -2.797 0.00 0.00 +0.012 C ATOM 37 C LIG 1 1.210 0.027 -3.932 0.00 0.00 +0.009 C ATOM 38 C LIG 1 2.546 -1.925 -3.113 0.00 0.00 +0.009 C ENDBRANCH 26 36 ENDBRANCH 1 26 TORSDOF 7