REMARK Name = BDB062835 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.445 -4.309 -0.006 0.00 0.00 +0.064 C ATOM 2 C LIG 1 -1.319 -3.480 -0.522 0.00 0.00 +0.020 A ATOM 3 N LIG 1 0.004 -3.772 -0.249 0.00 0.00 -0.343 N ATOM 4 C LIG 1 0.481 -4.891 0.542 0.00 0.00 +0.149 C ATOM 5 C LIG 1 0.834 -2.832 -0.830 0.00 0.00 +0.105 A ATOM 6 C LIG 1 0.013 -1.970 -1.535 0.00 0.00 +0.037 A ATOM 7 C LIG 1 -1.343 -2.343 -1.321 0.00 0.00 -0.012 A ENDROOT BRANCH 5 8 ATOM 8 C LIG 1 2.282 -2.859 -0.759 0.00 0.00 +0.263 C ATOM 9 N LIG 1 2.947 -1.694 -0.361 0.00 0.00 -0.291 N ATOM 10 C LIG 1 4.424 -1.718 -0.326 0.00 0.00 +0.091 C ATOM 11 C LIG 1 4.986 -1.378 -1.709 0.00 0.00 +0.029 C ATOM 12 C LIG 1 5.031 -0.822 0.785 0.00 0.00 +0.127 C ATOM 13 N LIG 1 4.457 0.537 0.855 0.00 0.00 -0.326 N ATOM 14 C LIG 1 3.124 0.726 0.247 0.00 0.00 +0.124 C ATOM 15 C LIG 1 2.295 -0.565 0.320 0.00 0.00 +0.127 C ATOM 16 O LIG 1 2.905 -3.886 -1.025 0.00 0.00 -0.268 OA BRANCH 13 17 ATOM 17 C LIG 1 5.300 1.651 0.804 0.00 0.00 +0.050 A ATOM 18 C LIG 1 5.132 2.742 1.685 0.00 0.00 +0.108 A ATOM 19 C LIG 1 5.978 3.851 1.600 0.00 0.00 +0.142 A ATOM 20 F LIG 1 5.825 4.889 2.437 0.00 0.00 -0.204 F ATOM 21 C LIG 1 6.998 3.912 0.658 0.00 0.00 +0.040 A ATOM 22 C LIG 1 7.181 2.848 -0.216 0.00 0.00 +0.005 A ATOM 23 C LIG 1 6.340 1.732 -0.141 0.00 0.00 +0.024 A BRANCH 18 24 ATOM 24 C LIG 1 4.126 2.737 2.705 0.00 0.00 +0.104 C ATOM 25 N LIG 1 3.298 2.741 3.521 0.00 0.00 -0.191 NA ENDBRANCH 18 24 ENDBRANCH 13 17 ENDBRANCH 5 8 BRANCH 7 26 ATOM 26 C LIG 1 -2.535 -1.627 -1.891 0.00 0.00 +0.121 C BRANCH 26 27 ATOM 27 N LIG 1 -2.683 -0.306 -1.259 0.00 0.00 -0.295 NA ATOM 28 C LIG 1 -3.691 0.516 -1.969 0.00 0.00 +0.103 C ATOM 29 C LIG 1 -5.112 0.489 -1.365 0.00 0.00 +0.120 C ATOM 30 N LIG 1 -5.121 0.886 0.058 0.00 0.00 -0.326 N ATOM 31 C LIG 1 -3.814 0.766 0.745 0.00 0.00 +0.120 C ATOM 32 C LIG 1 -3.024 -0.436 0.182 0.00 0.00 +0.103 C BRANCH 30 33 ATOM 33 C LIG 1 -5.790 2.076 0.403 0.00 0.00 +0.048 A ATOM 34 C LIG 1 -6.628 2.140 1.538 0.00 0.00 +0.062 A ATOM 35 CL LIG 1 -6.926 0.745 2.523 0.00 0.00 -0.082 Cl ATOM 36 C LIG 1 -7.273 3.329 1.897 0.00 0.00 +0.022 A ATOM 37 C LIG 1 -7.090 4.481 1.136 0.00 0.00 +0.002 A ATOM 38 C LIG 1 -6.263 4.445 0.018 0.00 0.00 +0.002 A ATOM 39 C LIG 1 -5.619 3.256 -0.342 0.00 0.00 +0.024 A ENDBRANCH 30 33 ENDBRANCH 26 27 ENDBRANCH 7 26 TORSDOF 6