REMARK Name = BDB058757 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.795 -2.056 1.296 0.00 0.00 +0.037 A ATOM 2 C LIG 1 -0.432 -2.289 -0.037 0.00 0.00 +0.023 A ATOM 3 C LIG 1 0.918 -2.150 -0.423 0.00 0.00 +0.004 A ATOM 4 C LIG 1 1.604 -2.294 -1.669 0.00 0.00 -0.022 A ATOM 5 C LIG 1 2.947 -2.038 -1.435 0.00 0.00 +0.020 A ATOM 6 N LIG 1 3.091 -1.733 -0.094 0.00 0.00 -0.339 N ATOM 7 C LIG 1 4.090 -2.050 -2.393 0.00 0.00 +0.064 C ATOM 8 C LIG 1 0.995 -2.657 -2.979 0.00 0.00 +0.046 C ATOM 9 C LIG 1 1.865 -1.806 0.546 0.00 0.00 +0.050 A ATOM 10 C LIG 1 1.509 -1.602 1.893 0.00 0.00 +0.027 A ATOM 11 C LIG 1 0.166 -1.739 2.253 0.00 0.00 +0.015 A ENDROOT BRANCH 1 14 ATOM 12 N LIG 1 -3.185 -1.496 1.066 0.00 0.00 -0.307 N ATOM 13 H LIG 1 -4.088 -1.603 1.513 0.00 0.00 +0.149 HD ATOM 14 C LIG 1 -2.202 -2.193 1.726 0.00 0.00 +0.244 C ATOM 15 O LIG 1 -2.481 -2.906 2.685 0.00 0.00 -0.270 OA BRANCH 12 16 ATOM 16 C LIG 1 -2.985 -0.301 0.271 0.00 0.00 +0.140 C BRANCH 16 21 ATOM 17 C LIG 1 -6.059 1.961 0.368 0.00 0.00 +0.162 A ATOM 18 C LIG 1 -6.780 1.457 -0.723 0.00 0.00 +0.158 A ATOM 19 C LIG 1 -6.287 0.399 -1.487 0.00 0.00 +0.049 A ATOM 20 C LIG 1 -5.053 -0.166 -1.166 0.00 0.00 +0.009 A ATOM 21 C LIG 1 -4.306 0.328 -0.089 0.00 0.00 -0.027 A ATOM 22 C LIG 1 -4.822 1.386 0.680 0.00 0.00 +0.054 A BRANCH 17 24 ATOM 23 C LIG 1 -5.939 3.522 2.168 0.00 0.00 +0.277 C ATOM 24 O LIG 1 -6.640 2.996 1.051 0.00 0.00 -0.491 OA ENDBRANCH 17 24 BRANCH 18 25 ATOM 25 O LIG 1 -7.992 2.012 -1.037 0.00 0.00 -0.503 OA ATOM 26 H LIG 1 -8.364 1.551 -1.804 0.00 0.00 +0.292 HD ENDBRANCH 18 25 ENDBRANCH 16 21 ENDBRANCH 12 16 ENDBRANCH 1 14 BRANCH 6 27 ATOM 27 C LIG 1 4.358 -1.422 0.571 0.00 0.00 +0.157 C BRANCH 27 28 ATOM 28 C LIG 1 4.838 -0.015 0.296 0.00 0.00 -0.027 A ATOM 29 C LIG 1 4.005 1.099 0.496 0.00 0.00 +0.017 A ATOM 30 C LIG 1 4.466 2.405 0.254 0.00 0.00 +0.055 A ATOM 31 C LIG 1 5.790 2.590 -0.168 0.00 0.00 +0.012 A ATOM 32 C LIG 1 6.630 1.494 -0.356 0.00 0.00 +0.001 A ATOM 33 C LIG 1 6.159 0.202 -0.123 0.00 0.00 +0.005 A BRANCH 30 34 ATOM 34 C LIG 1 3.560 3.590 0.485 0.00 0.00 +0.417 C ATOM 35 F LIG 1 3.601 4.026 1.775 0.00 0.00 -0.166 F ATOM 36 F LIG 1 2.250 3.322 0.224 0.00 0.00 -0.166 F ATOM 37 F LIG 1 3.879 4.668 -0.284 0.00 0.00 -0.166 F ENDBRANCH 30 34 ENDBRANCH 27 28 ENDBRANCH 6 27 TORSDOF 8