REMARK Name = BDB026550 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.611 1.713 1.815 0.00 0.00 +0.076 C ATOM 2 C LIG 1 -0.095 0.276 2.076 0.00 0.00 +0.040 C ATOM 3 C LIG 1 -1.166 -0.826 2.015 0.00 0.00 +0.074 C ATOM 4 C LIG 1 -2.012 -0.958 3.281 0.00 0.00 +0.028 C ATOM 5 N LIG 1 -2.013 -0.685 0.823 0.00 0.00 -0.295 N ATOM 6 C LIG 1 -2.409 -1.850 0.164 0.00 0.00 +0.247 C ATOM 7 O LIG 1 -2.011 -2.976 0.443 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 -2.574 0.643 0.569 0.00 0.00 +0.109 C ATOM 9 C LIG 1 -1.477 1.705 0.535 0.00 0.00 +0.037 C ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -3.347 -1.744 -0.963 0.00 0.00 +0.049 A ATOM 11 C LIG 1 -4.731 -1.834 -0.770 0.00 0.00 +0.067 A ATOM 12 C LIG 1 -5.563 -1.725 -1.900 0.00 0.00 +0.013 A ATOM 13 C LIG 1 -5.020 -1.558 -3.177 0.00 0.00 +0.001 A ATOM 14 C LIG 1 -3.639 -1.497 -3.349 0.00 0.00 +0.001 A ATOM 15 C LIG 1 -2.798 -1.595 -2.243 0.00 0.00 +0.013 A BRANCH 11 16 ATOM 16 C LIG 1 -5.338 -1.976 0.598 0.00 0.00 +0.418 C ATOM 17 F LIG 1 -5.524 -0.765 1.192 0.00 0.00 -0.166 F ATOM 18 F LIG 1 -4.624 -2.721 1.478 0.00 0.00 -0.166 F ATOM 19 F LIG 1 -6.574 -2.556 0.564 0.00 0.00 -0.166 F ENDBRANCH 11 16 ENDBRANCH 6 10 BRANCH 1 20 ATOM 20 C LIG 1 -1.451 2.221 2.981 0.00 0.00 +0.311 C ATOM 21 O LIG 1 -2.490 2.856 2.903 0.00 0.00 -0.250 OA BRANCH 20 22 ATOM 22 O LIG 1 -0.919 1.961 4.191 0.00 0.00 -0.480 OA ATOM 23 H LIG 1 -1.545 2.368 4.829 0.00 0.00 +0.295 HD ENDBRANCH 20 22 ENDBRANCH 1 20 BRANCH 1 24 ATOM 24 C LIG 1 0.553 2.743 1.712 0.00 0.00 +0.076 C BRANCH 24 27 ATOM 25 C LIG 1 3.477 1.466 -0.154 0.00 0.00 +0.124 A ATOM 26 N LIG 1 2.591 1.716 0.839 0.00 0.00 -0.234 NA ATOM 27 C LIG 1 1.540 2.540 0.593 0.00 0.00 +0.079 A ATOM 28 C LIG 1 1.371 3.168 -0.633 0.00 0.00 +0.145 A ATOM 29 F LIG 1 0.332 3.985 -0.854 0.00 0.00 -0.204 F ATOM 30 C LIG 1 2.289 2.938 -1.643 0.00 0.00 +0.043 A ATOM 31 C LIG 1 3.353 2.072 -1.400 0.00 0.00 +0.046 A BRANCH 25 32 ATOM 32 N LIG 1 4.509 0.599 0.180 0.00 0.00 -0.283 N ATOM 33 H LIG 1 4.483 0.423 1.181 0.00 0.00 +0.155 HD BRANCH 32 39 ATOM 34 C LIG 1 6.576 -2.267 -3.326 0.00 0.00 +0.065 C ATOM 35 C LIG 1 6.187 -1.506 -2.121 0.00 0.00 +0.035 A ATOM 36 N LIG 1 6.872 -1.594 -0.945 0.00 0.00 -0.280 N ATOM 37 H LIG 1 7.694 -2.152 -0.739 0.00 0.00 +0.189 HD ATOM 38 N LIG 1 6.351 -0.849 0.039 0.00 0.00 -0.158 NA ATOM 39 C LIG 1 5.317 -0.217 -0.524 0.00 0.00 +0.146 A ATOM 40 C LIG 1 5.160 -0.619 -1.871 0.00 0.00 +0.068 A ENDBRANCH 32 39 ENDBRANCH 25 32 ENDBRANCH 24 27 ENDBRANCH 1 24 TORSDOF 8