REMARK Name = BDB008844 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.467 1.568 1.340 0.00 0.00 +0.069 A ATOM 2 C LIG 1 -0.349 2.188 2.590 0.00 0.00 +0.144 A ATOM 3 F LIG 1 0.799 2.075 3.277 0.00 0.00 -0.204 F ATOM 4 C LIG 1 -1.398 2.911 3.146 0.00 0.00 +0.040 A ATOM 5 C LIG 1 -2.598 3.026 2.447 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -2.745 2.421 1.190 0.00 0.00 -0.040 A ATOM 7 C LIG 1 -1.667 1.702 0.641 0.00 0.00 +0.030 A ENDROOT BRANCH 1 9 ATOM 8 C LIG 1 0.736 0.067 -0.270 0.00 0.00 +0.217 C ATOM 9 N LIG 1 0.651 0.846 0.870 0.00 0.00 -0.283 N ATOM 10 H LIG 1 1.469 0.889 1.472 0.00 0.00 +0.155 HD ATOM 11 O LIG 1 -0.176 -0.165 -1.056 0.00 0.00 -0.275 OA BRANCH 8 12 ATOM 12 C LIG 1 2.123 -0.538 -0.429 0.00 0.00 +0.096 C BRANCH 12 13 ATOM 13 C LIG 1 2.291 -1.258 -1.769 0.00 0.00 +0.018 C BRANCH 13 14 ATOM 14 C LIG 1 3.646 -1.951 -1.906 0.00 0.00 +0.096 C BRANCH 14 16 ATOM 15 O LIG 1 4.661 0.222 -2.136 0.00 0.00 -0.275 OA ATOM 16 C LIG 1 4.816 -0.992 -2.087 0.00 0.00 +0.217 C ATOM 17 N LIG 1 6.016 -1.677 -2.179 0.00 0.00 -0.285 N ATOM 18 H LIG 1 5.969 -2.687 -2.126 0.00 0.00 +0.155 HD BRANCH 17 19 ATOM 19 C LIG 1 7.307 -1.133 -2.348 0.00 0.00 +0.033 A ATOM 20 C LIG 1 8.378 -2.035 -2.405 0.00 0.00 +0.023 A ATOM 21 C LIG 1 9.688 -1.579 -2.571 0.00 0.00 +0.002 A ATOM 22 C LIG 1 9.941 -0.215 -2.681 0.00 0.00 +0.000 A ATOM 23 C LIG 1 8.884 0.690 -2.624 0.00 0.00 +0.002 A ATOM 24 C LIG 1 7.572 0.233 -2.459 0.00 0.00 +0.023 A ENDBRANCH 17 19 ENDBRANCH 14 16 ENDBRANCH 13 14 ENDBRANCH 12 13 ENDBRANCH 8 12 ENDBRANCH 1 9 BRANCH 6 25 ATOM 25 C LIG 1 -4.043 2.551 0.426 0.00 0.00 +0.092 C BRANCH 25 26 ATOM 26 C LIG 1 -5.222 1.896 1.140 0.00 0.00 +0.069 A ATOM 27 C LIG 1 -5.410 0.412 1.062 0.00 0.00 -0.016 A ATOM 28 C LIG 1 -4.481 -0.450 0.253 0.00 0.00 +0.037 C ATOM 29 C LIG 1 -5.016 -1.866 0.017 0.00 0.00 +0.005 C ATOM 30 C LIG 1 -5.613 -2.446 1.292 0.00 0.00 +0.005 C ATOM 31 C LIG 1 -6.756 -1.571 1.809 0.00 0.00 +0.041 C ATOM 32 C LIG 1 -6.447 -0.101 1.749 0.00 0.00 +0.023 A ATOM 33 C LIG 1 -7.353 0.795 2.511 0.00 0.00 +0.268 A ATOM 34 O LIG 1 -8.314 0.362 3.138 0.00 0.00 -0.266 OA ATOM 35 N LIG 1 -7.053 2.129 2.466 0.00 0.00 -0.243 N ATOM 36 H LIG 1 -7.661 2.757 2.980 0.00 0.00 +0.192 HD ATOM 37 N LIG 1 -6.007 2.692 1.806 0.00 0.00 -0.175 NA ENDBRANCH 25 26 ENDBRANCH 6 25 TORSDOF 8