REMARK Name = BDB017470 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.368 3.458 -0.901 0.00 0.00 +0.101 A ATOM 2 C LIG 1 -1.202 2.308 -0.891 0.00 0.00 +0.080 A ATOM 3 C LIG 1 -0.438 1.340 -0.270 0.00 0.00 +0.122 A ATOM 4 N LIG 1 0.742 1.933 0.073 0.00 0.00 -0.266 N ATOM 5 N LIG 1 0.804 3.233 -0.283 0.00 0.00 -0.173 NA ENDROOT BRANCH 2 6 ATOM 6 C LIG 1 -2.526 2.153 -1.454 0.00 0.00 +0.248 C ATOM 7 N LIG 1 -3.448 1.408 -0.752 0.00 0.00 -0.307 N ATOM 8 H LIG 1 -4.321 1.401 -1.269 0.00 0.00 +0.149 HD ATOM 9 O LIG 1 -2.838 2.628 -2.542 0.00 0.00 -0.270 OA BRANCH 7 10 ATOM 10 C LIG 1 -3.614 1.508 0.686 0.00 0.00 +0.144 C BRANCH 10 11 ATOM 11 C LIG 1 -4.411 0.349 1.224 0.00 0.00 +0.026 A ATOM 12 C LIG 1 -5.798 0.330 1.011 0.00 0.00 +0.171 A ATOM 13 F LIG 1 -6.356 1.350 0.337 0.00 0.00 -0.201 F ATOM 14 C LIG 1 -6.614 -0.713 1.466 0.00 0.00 +0.156 A ATOM 15 C LIG 1 -6.026 -1.771 2.155 0.00 0.00 +0.050 A ATOM 16 C LIG 1 -4.644 -1.779 2.374 0.00 0.00 +0.023 A ATOM 17 C LIG 1 -3.833 -0.731 1.911 0.00 0.00 +0.059 A BRANCH 14 18 ATOM 18 O LIG 1 -7.946 -0.590 1.182 0.00 0.00 -0.492 OA ATOM 19 C LIG 1 -8.810 -1.625 1.635 0.00 0.00 +0.277 C ENDBRANCH 14 18 BRANCH 17 20 ATOM 20 C LIG 1 -2.422 -0.801 2.172 0.00 0.00 +0.100 C ATOM 21 N LIG 1 -1.284 -0.862 2.393 0.00 0.00 -0.191 NA ENDBRANCH 17 20 ENDBRANCH 10 11 ENDBRANCH 7 10 ENDBRANCH 2 6 BRANCH 1 22 ATOM 22 C LIG 1 -0.699 4.812 -1.448 0.00 0.00 +0.217 C BRANCH 22 24 ATOM 23 C LIG 1 -0.969 6.094 0.528 0.00 0.00 +0.194 C ATOM 24 O LIG 1 -1.612 5.543 -0.614 0.00 0.00 -0.377 OA ENDBRANCH 22 24 ENDBRANCH 1 22 BRANCH 4 25 ATOM 25 C LIG 1 1.837 1.323 0.817 0.00 0.00 +0.178 C BRANCH 25 26 ATOM 26 C LIG 1 2.463 0.177 0.063 0.00 0.00 -0.026 A ATOM 27 C LIG 1 3.287 0.422 -1.043 0.00 0.00 +0.006 A ATOM 28 C LIG 1 3.864 -0.637 -1.746 0.00 0.00 +0.006 A ATOM 29 C LIG 1 3.624 -1.964 -1.362 0.00 0.00 -0.028 A ATOM 30 C LIG 1 2.800 -2.209 -0.256 0.00 0.00 +0.006 A ATOM 31 C LIG 1 2.224 -1.149 0.450 0.00 0.00 +0.006 A BRANCH 29 32 ATOM 32 C LIG 1 4.264 -3.104 -2.122 0.00 0.00 +0.160 C BRANCH 32 33 ATOM 33 N LIG 1 5.660 -3.317 -1.743 0.00 0.00 -0.311 N ATOM 34 C LIG 1 6.659 -2.754 -2.537 0.00 0.00 +0.252 A ATOM 35 O LIG 1 6.466 -2.103 -3.560 0.00 0.00 -0.268 OA ATOM 36 C LIG 1 8.058 -2.984 -2.081 0.00 0.00 +0.070 A ATOM 37 C LIG 1 8.302 -3.689 -0.970 0.00 0.00 +0.007 A ATOM 38 C LIG 1 7.215 -4.231 -0.198 0.00 0.00 +0.018 A ATOM 39 C LIG 1 5.952 -4.035 -0.593 0.00 0.00 +0.089 A ENDBRANCH 32 33 ENDBRANCH 29 32 ENDBRANCH 25 26 ENDBRANCH 4 25 TORSDOF 11