REMARK Name = BDB009412 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.603 0.034 -1.219 0.00 0.00 +0.072 A ATOM 2 C LIG 1 -1.629 -0.246 -2.582 0.00 0.00 +0.135 A ATOM 3 F LIG 1 -0.810 0.388 -3.433 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -2.499 -1.209 -3.084 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -3.365 -1.881 -2.218 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -3.379 -1.584 -0.844 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -2.481 -0.626 -0.349 0.00 0.00 +0.020 A ENDROOT BRANCH 1 9 ATOM 8 O LIG 1 -1.274 2.022 -0.103 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 -0.726 1.087 -0.683 0.00 0.00 +0.249 C ATOM 10 N LIG 1 0.655 0.985 -0.850 0.00 0.00 -0.294 N ATOM 11 C LIG 1 1.352 -0.290 -1.095 0.00 0.00 +0.127 C ATOM 12 C LIG 1 2.703 -0.080 -1.804 0.00 0.00 +0.127 C ATOM 13 N LIG 1 3.509 0.913 -1.086 0.00 0.00 -0.295 N ATOM 14 C LIG 1 4.440 0.586 -0.094 0.00 0.00 +0.260 C ATOM 15 O LIG 1 4.650 1.354 0.848 0.00 0.00 -0.271 OA ATOM 16 C LIG 1 2.824 2.206 -0.966 0.00 0.00 +0.127 C ATOM 17 C LIG 1 1.480 2.044 -0.241 0.00 0.00 +0.127 C BRANCH 14 18 ATOM 18 C LIG 1 5.188 -0.764 -0.214 0.00 0.00 +0.296 C ATOM 19 O LIG 1 5.963 -1.094 0.942 0.00 0.00 -0.473 OA ATOM 20 C LIG 1 7.216 -0.541 0.922 0.00 0.00 +0.163 A ATOM 21 C LIG 1 7.786 0.031 -0.217 0.00 0.00 +0.162 A ATOM 22 C LIG 1 9.054 0.607 -0.151 0.00 0.00 +0.049 A ATOM 23 C LIG 1 9.765 0.586 1.050 0.00 0.00 +0.004 A ATOM 24 C LIG 1 9.206 -0.007 2.182 0.00 0.00 +0.004 A ATOM 25 O LIG 1 7.155 0.072 -1.432 0.00 0.00 -0.484 OA ATOM 26 C LIG 1 7.931 -0.571 2.118 0.00 0.00 +0.049 A ATOM 27 C LIG 1 6.045 -0.830 -1.476 0.00 0.00 +0.283 C ENDBRANCH 14 18 ENDBRANCH 1 9 BRANCH 6 28 ATOM 28 C LIG 1 -4.322 -2.337 0.071 0.00 0.00 +0.094 C BRANCH 28 29 ATOM 29 C LIG 1 -4.915 -1.502 1.198 0.00 0.00 +0.087 A ATOM 30 C LIG 1 -6.006 -0.517 0.879 0.00 0.00 +0.059 A ATOM 31 N LIG 1 -6.434 -0.297 -0.428 0.00 0.00 -0.342 N ATOM 32 H LIG 1 -5.706 -0.448 -1.123 0.00 0.00 +0.146 HD ATOM 33 C LIG 1 -7.272 0.861 -0.731 0.00 0.00 +0.102 C ATOM 34 C LIG 1 -8.317 1.032 0.368 0.00 0.00 +0.023 C ATOM 35 C LIG 1 -7.656 1.128 1.749 0.00 0.00 +0.044 C ATOM 36 C LIG 1 -6.541 0.134 1.924 0.00 0.00 +0.041 A ATOM 37 C LIG 1 -6.026 -0.093 3.292 0.00 0.00 +0.270 A ATOM 38 O LIG 1 -6.496 0.489 4.264 0.00 0.00 -0.266 OA ATOM 39 N LIG 1 -4.989 -0.982 3.405 0.00 0.00 -0.243 N ATOM 40 H LIG 1 -4.623 -1.148 4.337 0.00 0.00 +0.192 HD ATOM 41 N LIG 1 -4.438 -1.703 2.391 0.00 0.00 -0.174 NA ENDBRANCH 28 29 ENDBRANCH 6 28 TORSDOF 4