REMARK Name = BDB011024 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.949 1.146 1.915 0.00 0.00 +0.145 A ATOM 2 N LIG 1 -2.739 1.437 2.978 0.00 0.00 -0.195 NA ATOM 3 C LIG 1 -4.069 1.277 2.854 0.00 0.00 +0.219 A ATOM 4 C LIG 1 -4.681 0.768 1.724 0.00 0.00 +0.072 A ATOM 5 C LIG 1 -3.907 0.408 0.616 0.00 0.00 -0.025 A ATOM 6 C LIG 1 -2.515 0.617 0.751 0.00 0.00 +0.051 A ENDROOT BRANCH 1 13 ATOM 7 C LIG 1 4.090 1.651 0.565 0.00 0.00 -0.033 A ATOM 8 C LIG 1 2.728 1.517 0.255 0.00 0.00 +0.020 A ATOM 9 C LIG 1 1.764 1.561 1.271 0.00 0.00 +0.066 A ATOM 10 C LIG 1 2.137 1.743 2.599 0.00 0.00 +0.078 A ATOM 11 N LIG 1 1.200 1.793 3.635 0.00 0.00 -0.237 NA ATOM 12 C LIG 1 -0.042 1.601 3.326 0.00 0.00 +0.209 A ATOM 13 N LIG 1 -0.537 1.360 2.060 0.00 0.00 -0.251 N ATOM 14 C LIG 1 3.491 1.884 2.908 0.00 0.00 +0.029 A ATOM 15 C LIG 1 0.323 1.429 0.965 0.00 0.00 +0.267 A ATOM 16 O LIG 1 -0.006 1.453 -0.219 0.00 0.00 -0.267 OA ATOM 17 C LIG 1 4.461 1.841 1.902 0.00 0.00 +0.007 A BRANCH 7 18 ATOM 18 C LIG 1 5.134 1.614 -0.533 0.00 0.00 +0.119 C BRANCH 18 22 ATOM 19 C LIG 1 7.303 -2.571 -0.225 0.00 0.00 +0.009 C ATOM 20 C LIG 1 6.885 -1.357 -1.053 0.00 0.00 +0.000 C ATOM 21 C LIG 1 5.524 -0.811 -0.596 0.00 0.00 +0.088 C ATOM 22 N LIG 1 5.080 0.383 -1.333 0.00 0.00 -0.298 NA ATOM 23 C LIG 1 5.755 0.572 -2.623 0.00 0.00 +0.085 C ATOM 24 C LIG 1 5.966 -0.753 -3.350 0.00 0.00 +0.016 C ATOM 25 C LIG 1 6.856 -1.704 -2.549 0.00 0.00 +0.006 C ENDBRANCH 18 22 ENDBRANCH 7 18 ENDBRANCH 1 13 BRANCH 5 26 ATOM 26 C LIG 1 -4.526 -0.215 -0.731 0.00 0.00 +0.056 C ATOM 27 C LIG 1 -6.013 0.113 -1.099 0.00 0.00 +0.022 C ATOM 28 C LIG 1 -5.591 0.406 -2.553 0.00 0.00 -0.012 C ATOM 29 C LIG 1 -5.878 -0.680 -3.578 0.00 0.00 +0.007 C ATOM 30 C LIG 1 -4.137 0.530 -2.060 0.00 0.00 +0.022 C BRANCH 26 31 ATOM 31 C LIG 1 -4.184 -1.766 -0.782 0.00 0.00 +0.144 A ATOM 32 N LIG 1 -4.797 -2.798 -0.125 0.00 0.00 -0.320 N ATOM 33 C LIG 1 -5.920 -2.755 0.768 0.00 0.00 +0.151 C ATOM 34 C LIG 1 -4.122 -3.925 -0.482 0.00 0.00 +0.224 A ATOM 35 N LIG 1 -3.146 -3.613 -1.300 0.00 0.00 -0.138 NA ATOM 36 N LIG 1 -3.180 -2.253 -1.484 0.00 0.00 -0.134 NA ENDBRANCH 26 31 ENDBRANCH 5 26 BRANCH 3 37 ATOM 37 O LIG 1 -4.895 1.548 3.923 0.00 0.00 -0.445 OA BRANCH 37 38 ATOM 38 C LIG 1 -4.311 2.442 4.860 0.00 0.00 +0.445 C ATOM 39 F LIG 1 -4.295 3.684 4.310 0.00 0.00 -0.204 F ENDBRANCH 37 38 ENDBRANCH 3 37 TORSDOF 7