REMARK Name = BDB065390 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.354 -0.486 -0.374 0.00 0.00 +0.113 A ATOM 2 N LIG 1 0.993 -0.655 -1.690 0.00 0.00 -0.130 NA ATOM 3 N LIG 1 -0.298 -0.378 -1.810 0.00 0.00 -0.065 NA ATOM 4 N LIG 1 -0.748 -0.046 -0.590 0.00 0.00 -0.251 N ATOM 5 C LIG 1 0.244 -0.092 0.343 0.00 0.00 +0.138 A ENDROOT BRANCH 1 9 ATOM 6 C LIG 1 5.340 -1.152 1.047 0.00 0.00 -0.028 A ATOM 7 C LIG 1 4.985 -1.450 -0.274 0.00 0.00 +0.006 A ATOM 8 C LIG 1 3.680 -1.227 -0.727 0.00 0.00 +0.010 A ATOM 9 C LIG 1 2.700 -0.705 0.128 0.00 0.00 +0.004 A ATOM 10 C LIG 1 3.059 -0.409 1.450 0.00 0.00 +0.010 A ATOM 11 C LIG 1 4.364 -0.630 1.906 0.00 0.00 +0.006 A BRANCH 6 12 ATOM 12 C LIG 1 6.756 -1.382 1.530 0.00 0.00 +0.161 C BRANCH 12 17 ATOM 13 C LIG 1 9.455 1.282 -0.188 0.00 0.00 +0.159 A ATOM 14 C LIG 1 8.569 1.754 0.899 0.00 0.00 +0.179 A ATOM 15 F LIG 1 8.653 3.038 1.286 0.00 0.00 -0.200 F ATOM 16 C LIG 1 7.732 0.869 1.427 0.00 0.00 +0.132 A ATOM 17 N LIG 1 7.703 -0.429 0.957 0.00 0.00 -0.292 N ATOM 18 C LIG 1 8.535 -0.846 -0.093 0.00 0.00 +0.351 A ATOM 19 O LIG 1 8.483 -1.996 -0.524 0.00 0.00 -0.244 OA ATOM 20 N LIG 1 9.417 0.063 -0.637 0.00 0.00 -0.175 NA BRANCH 13 21 ATOM 21 N LIG 1 10.355 2.135 -0.774 0.00 0.00 -0.341 N ATOM 22 H LIG 1 10.113 3.119 -0.775 0.00 0.00 +0.144 HD ATOM 23 H LIG 1 10.699 1.792 -1.666 0.00 0.00 +0.144 HD ENDBRANCH 13 21 ENDBRANCH 12 17 ENDBRANCH 6 12 ENDBRANCH 1 9 BRANCH 4 24 ATOM 24 C LIG 1 -2.139 0.307 -0.398 0.00 0.00 +0.145 C BRANCH 24 25 ATOM 25 C LIG 1 -3.034 -0.928 -0.315 0.00 0.00 +0.024 C BRANCH 25 26 ATOM 26 C LIG 1 -4.497 -0.596 -0.013 0.00 0.00 +0.006 C BRANCH 26 27 ATOM 27 C LIG 1 -5.188 0.170 -1.145 0.00 0.00 +0.035 C BRANCH 27 28 ATOM 28 C LIG 1 -6.657 0.371 -0.860 0.00 0.00 -0.047 A ATOM 29 C LIG 1 -7.606 -0.534 -1.356 0.00 0.00 +0.004 A ATOM 30 C LIG 1 -8.965 -0.356 -1.084 0.00 0.00 +0.015 A ATOM 31 C LIG 1 -9.380 0.726 -0.298 0.00 0.00 +0.059 A ATOM 32 C LIG 1 -8.442 1.641 0.188 0.00 0.00 +0.015 A ATOM 33 C LIG 1 -7.085 1.459 -0.086 0.00 0.00 +0.004 A BRANCH 31 34 ATOM 34 C LIG 1 -10.810 0.949 0.012 0.00 0.00 +0.337 C ATOM 35 O LIG 1 -11.326 2.053 0.023 0.00 0.00 -0.245 OA BRANCH 34 36 ATOM 36 O LIG 1 -11.464 -0.188 0.329 0.00 0.00 -0.477 OA ATOM 37 H LIG 1 -10.889 -0.966 0.447 0.00 0.00 +0.295 HD ENDBRANCH 34 36 ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 4 24 TORSDOF 11