REMARK Name = BDB052064 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.799 -1.450 0.515 0.00 0.00 +0.119 A ATOM 2 C LIG 1 -1.833 -0.217 -0.112 0.00 0.00 +0.163 A ATOM 3 O LIG 1 -0.585 0.001 -0.640 0.00 0.00 -0.436 OA ATOM 4 C LIG 1 0.128 -1.122 -0.322 0.00 0.00 +0.235 A ATOM 5 N LIG 1 -0.560 -2.032 0.339 0.00 0.00 -0.210 NA ENDROOT BRANCH 1 9 ATOM 6 C LIG 1 -4.871 -3.328 2.667 0.00 0.00 +0.214 A ATOM 7 N LIG 1 -4.731 -1.992 2.797 0.00 0.00 -0.221 NA ATOM 8 C LIG 1 -3.722 -1.417 2.096 0.00 0.00 +0.124 A ATOM 9 C LIG 1 -2.859 -2.106 1.250 0.00 0.00 +0.022 A ATOM 10 C LIG 1 -3.029 -3.489 1.156 0.00 0.00 +0.017 A ATOM 11 C LIG 1 -4.051 -4.111 1.870 0.00 0.00 +0.068 A BRANCH 6 13 ATOM 12 C LIG 1 -6.656 -3.124 4.163 0.00 0.00 +0.279 C ATOM 13 O LIG 1 -5.873 -3.989 3.348 0.00 0.00 -0.480 OA ENDBRANCH 6 13 ENDBRANCH 1 9 BRANCH 2 14 ATOM 14 C LIG 1 -2.808 0.832 -0.369 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -4.136 0.526 -0.688 0.00 0.00 +0.015 A ATOM 16 C LIG 1 -5.074 1.540 -0.930 0.00 0.00 +0.046 A ATOM 17 C LIG 1 -4.693 2.880 -0.864 0.00 0.00 +0.130 A ATOM 18 C LIG 1 -3.366 3.191 -0.556 0.00 0.00 +0.046 A ATOM 19 C LIG 1 -2.431 2.179 -0.314 0.00 0.00 +0.015 A BRANCH 17 20 ATOM 20 O LIG 1 -5.493 3.965 -1.075 0.00 0.00 -0.406 OA BRANCH 20 21 ATOM 21 C LIG 1 -6.854 3.731 -1.395 0.00 0.00 +0.575 C ATOM 22 F LIG 1 -7.483 3.072 -0.399 0.00 0.00 -0.133 F ATOM 23 F LIG 1 -6.971 3.032 -2.544 0.00 0.00 -0.133 F ATOM 24 F LIG 1 -7.469 4.923 -1.565 0.00 0.00 -0.133 F ENDBRANCH 20 21 ENDBRANCH 17 20 ENDBRANCH 2 14 BRANCH 4 25 ATOM 25 C LIG 1 1.541 -1.169 -0.789 0.00 0.00 +0.324 C BRANCH 25 26 ATOM 26 O LIG 1 2.273 -0.222 -0.012 0.00 0.00 -0.483 OA BRANCH 26 27 ATOM 27 C LIG 1 3.604 -0.086 -0.292 0.00 0.00 +0.122 A ATOM 28 C LIG 1 4.266 0.873 0.477 0.00 0.00 +0.052 A ATOM 29 C LIG 1 5.636 1.127 0.302 0.00 0.00 -0.005 A ATOM 30 C LIG 1 6.313 2.170 1.148 0.00 0.00 +0.047 C ATOM 31 C LIG 1 6.355 0.404 -0.665 0.00 0.00 +0.124 A ATOM 32 C LIG 1 5.691 -0.559 -1.429 0.00 0.00 +0.049 A ATOM 33 C LIG 1 4.323 -0.802 -1.245 0.00 0.00 +0.049 A BRANCH 31 34 ATOM 34 O LIG 1 7.684 0.718 -0.766 0.00 0.00 -0.481 OA BRANCH 34 35 ATOM 35 C LIG 1 8.452 0.108 -1.790 0.00 0.00 +0.349 C BRANCH 35 36 ATOM 36 C LIG 1 8.174 0.612 -3.195 0.00 0.00 +0.343 C ATOM 37 O LIG 1 7.968 -0.086 -4.177 0.00 0.00 -0.247 OA BRANCH 36 38 ATOM 38 O LIG 1 8.200 1.955 -3.304 0.00 0.00 -0.478 OA ATOM 39 H LIG 1 7.987 2.133 -4.243 0.00 0.00 +0.295 HD ENDBRANCH 36 38 ENDBRANCH 35 36 ENDBRANCH 34 35 ENDBRANCH 31 34 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 4 25 TORSDOF 12