REMARK Name = BDB025743 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.150 1.569 -0.517 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.615 0.303 -0.185 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.756 0.057 -0.305 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.635 1.058 -0.762 0.00 0.00 +0.019 A ATOM 5 C LIG 1 1.081 2.307 -1.085 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.863 3.300 -1.538 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.284 2.567 -0.966 0.00 0.00 +0.064 A ENDROOT BRANCH 1 14 ATOM 8 C LIG 1 -4.901 1.762 1.726 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -4.469 2.867 0.756 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -5.267 2.703 -0.487 0.00 0.00 -0.300 NA ATOM 11 C LIG 1 -6.399 3.626 -0.533 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -4.430 2.824 -1.692 0.00 0.00 +0.103 C ATOM 13 C LIG 1 -3.244 1.829 -1.699 0.00 0.00 +0.120 C ATOM 14 N LIG 1 -2.546 1.762 -0.391 0.00 0.00 -0.326 N ATOM 15 C LIG 1 -2.921 2.834 0.551 0.00 0.00 +0.123 C ENDBRANCH 1 14 BRANCH 4 16 ATOM 16 C LIG 1 3.081 0.791 -0.889 0.00 0.00 -0.015 A ATOM 17 C LIG 1 3.554 -0.376 -1.508 0.00 0.00 +0.010 A ATOM 18 C LIG 1 4.928 -0.638 -1.624 0.00 0.00 +0.024 A ATOM 19 C LIG 1 5.887 0.249 -1.125 0.00 0.00 +0.030 A ATOM 20 C LIG 1 5.410 1.415 -0.508 0.00 0.00 +0.024 A ATOM 21 C LIG 1 4.039 1.683 -0.391 0.00 0.00 +0.010 A BRANCH 19 22 ATOM 22 N LIG 1 7.268 0.033 -1.207 0.00 0.00 -0.326 N ATOM 23 C LIG 1 7.815 -0.899 -2.215 0.00 0.00 +0.133 C ATOM 24 C LIG 1 8.273 -2.205 -1.551 0.00 0.00 +0.178 C ATOM 25 O LIG 1 9.311 -2.016 -0.574 0.00 0.00 -0.377 OA ATOM 26 C LIG 1 9.317 -0.699 -0.000 0.00 0.00 +0.178 C ATOM 27 C LIG 1 7.914 -0.083 0.126 0.00 0.00 +0.133 C ENDBRANCH 19 22 ENDBRANCH 4 16 BRANCH 2 28 ATOM 28 N LIG 1 -1.553 -0.639 0.281 0.00 0.00 -0.280 N ATOM 29 H LIG 1 -2.490 -0.239 0.334 0.00 0.00 +0.155 HD ATOM 30 C LIG 1 -1.346 -1.946 0.635 0.00 0.00 +0.250 C ATOM 31 O LIG 1 -0.312 -2.594 0.554 0.00 0.00 -0.270 OA BRANCH 30 32 ATOM 32 C LIG 1 -2.595 -2.594 1.125 0.00 0.00 +0.065 A ATOM 33 C LIG 1 -3.195 -2.303 2.417 0.00 0.00 +0.073 A ATOM 34 C LIG 1 -4.333 -2.934 2.761 0.00 0.00 +0.083 A ATOM 35 C LIG 1 -4.981 -3.916 1.851 0.00 0.00 +0.252 A ATOM 36 O LIG 1 -6.027 -4.451 2.205 0.00 0.00 -0.268 OA ATOM 37 N LIG 1 -4.324 -4.152 0.647 0.00 0.00 -0.318 N ATOM 38 C LIG 1 -4.880 -5.115 -0.292 0.00 0.00 +0.152 C ATOM 39 C LIG 1 -3.152 -3.497 0.304 0.00 0.00 +0.102 A BRANCH 33 40 ATOM 40 C LIG 1 -2.507 -1.342 3.336 0.00 0.00 +0.418 C ATOM 41 F LIG 1 -1.208 -1.662 3.548 0.00 0.00 -0.166 F ATOM 42 F LIG 1 -2.540 -0.075 2.853 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -3.096 -1.294 4.561 0.00 0.00 -0.166 F ENDBRANCH 33 40 ENDBRANCH 30 32 ENDBRANCH 2 28 TORSDOF 6