REMARK Name = BDB020066 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.671 -1.075 -1.301 0.00 0.00 +0.038 A ATOM 2 C LIG 1 -1.543 -1.502 -0.292 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -2.822 -0.938 -0.168 0.00 0.00 -0.015 A ATOM 4 C LIG 1 -3.212 0.062 -1.075 0.00 0.00 +0.014 A ATOM 5 C LIG 1 -2.359 0.485 -2.106 0.00 0.00 -0.026 A ATOM 6 C LIG 1 -1.087 -0.093 -2.209 0.00 0.00 +0.018 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -3.733 -1.364 0.900 0.00 0.00 +0.012 A ATOM 8 C LIG 1 -4.515 -2.533 0.836 0.00 0.00 +0.151 A ATOM 9 N LIG 1 -5.350 -2.906 1.857 0.00 0.00 -0.250 NA ATOM 10 C LIG 1 -5.426 -2.111 2.944 0.00 0.00 +0.111 A ATOM 11 C LIG 1 -4.705 -0.944 3.086 0.00 0.00 +0.020 A ATOM 12 C LIG 1 -3.851 -0.571 2.054 0.00 0.00 +0.012 A BRANCH 8 13 ATOM 13 C LIG 1 -4.455 -3.432 -0.394 0.00 0.00 +0.435 C ATOM 14 F LIG 1 -4.724 -2.769 -1.558 0.00 0.00 -0.164 F ATOM 15 F LIG 1 -3.228 -4.008 -0.569 0.00 0.00 -0.164 F ATOM 16 F LIG 1 -5.338 -4.473 -0.365 0.00 0.00 -0.164 F ENDBRANCH 8 13 ENDBRANCH 3 7 BRANCH 1 19 ATOM 17 N LIG 1 1.297 -2.134 -0.323 0.00 0.00 -0.307 N ATOM 18 H LIG 1 0.896 -1.917 0.577 0.00 0.00 +0.149 HD ATOM 19 C LIG 1 0.698 -1.642 -1.462 0.00 0.00 +0.244 C ATOM 20 O LIG 1 1.239 -1.617 -2.561 0.00 0.00 -0.270 OA BRANCH 17 21 ATOM 21 C LIG 1 2.681 -2.553 -0.324 0.00 0.00 +0.140 C BRANCH 21 26 ATOM 22 C LIG 1 4.753 0.626 0.060 0.00 0.00 +0.124 A ATOM 23 C LIG 1 5.133 0.549 1.403 0.00 0.00 +0.091 A ATOM 24 C LIG 1 4.726 -0.534 2.188 0.00 0.00 +0.124 A ATOM 25 C LIG 1 3.938 -1.541 1.622 0.00 0.00 +0.051 A ATOM 26 C LIG 1 3.555 -1.484 0.277 0.00 0.00 -0.023 A ATOM 27 C LIG 1 3.965 -0.387 -0.492 0.00 0.00 +0.051 A BRANCH 22 29 ATOM 28 C LIG 1 5.922 2.664 -0.325 0.00 0.00 +0.277 C ATOM 29 O LIG 1 5.075 1.631 -0.811 0.00 0.00 -0.495 OA ENDBRANCH 22 29 BRANCH 24 30 ATOM 30 O LIG 1 5.021 -0.727 3.511 0.00 0.00 -0.495 OA ATOM 31 C LIG 1 5.857 0.240 4.135 0.00 0.00 +0.277 C ENDBRANCH 24 30 ENDBRANCH 21 26 ENDBRANCH 17 21 ENDBRANCH 1 19 BRANCH 5 32 ATOM 32 C LIG 1 -2.785 1.572 -3.068 0.00 0.00 +0.161 C BRANCH 32 33 ATOM 33 N LIG 1 -2.651 2.879 -2.464 0.00 0.00 -0.295 N ATOM 34 C LIG 1 -3.640 3.570 -1.796 0.00 0.00 +0.296 A ATOM 35 N LIG 1 -4.888 3.316 -1.643 0.00 0.00 -0.250 NA ATOM 36 H LIG 1 -5.134 2.459 -2.134 0.00 0.00 +0.191 HD ATOM 37 O LIG 1 -3.118 4.725 -1.223 0.00 0.00 -0.431 OA ATOM 38 C LIG 1 -1.774 4.645 -1.598 0.00 0.00 +0.217 A ATOM 39 C LIG 1 -1.482 3.571 -2.320 0.00 0.00 +0.129 A ENDBRANCH 32 33 ENDBRANCH 5 32 TORSDOF 9