REMARK Name = BDB058824 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.239 0.418 0.617 0.00 0.00 +0.021 A ATOM 2 C LIG 1 -1.348 1.746 0.163 0.00 0.00 +0.128 A ATOM 3 C LIG 1 -0.195 2.423 -0.240 0.00 0.00 +0.050 A ATOM 4 C LIG 1 1.046 1.779 -0.202 0.00 0.00 +0.049 A ATOM 5 C LIG 1 1.158 0.460 0.241 0.00 0.00 +0.122 A ATOM 6 C LIG 1 0.013 -0.216 0.658 0.00 0.00 +0.057 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 -3.249 -1.010 0.214 0.00 0.00 +0.037 C ATOM 8 C LIG 1 -2.420 -0.346 1.045 0.00 0.00 +0.022 C BRANCH 7 9 ATOM 9 C LIG 1 -4.446 -1.688 0.771 0.00 0.00 +0.333 C ATOM 10 O LIG 1 -5.394 -2.095 0.121 0.00 0.00 -0.245 OA BRANCH 9 11 ATOM 11 O LIG 1 -4.405 -1.862 2.103 0.00 0.00 -0.477 OA ATOM 12 H LIG 1 -5.251 -2.315 2.301 0.00 0.00 +0.295 HD ENDBRANCH 9 11 ENDBRANCH 7 9 BRANCH 7 13 ATOM 13 C LIG 1 -3.120 -1.073 -1.291 0.00 0.00 +0.042 C BRANCH 13 15 ATOM 14 C LIG 1 -1.402 -2.962 -1.406 0.00 0.00 +0.004 C ATOM 15 C LIG 1 -2.773 -2.464 -1.838 0.00 0.00 +0.001 C ENDBRANCH 13 15 ENDBRANCH 7 13 ENDBRANCH 1 8 BRANCH 2 16 ATOM 16 O LIG 1 -2.607 2.286 0.171 0.00 0.00 -0.487 OA BRANCH 16 17 ATOM 17 C LIG 1 -2.803 3.515 -0.525 0.00 0.00 +0.264 C BRANCH 17 18 ATOM 18 C LIG 1 -4.284 3.821 -0.582 0.00 0.00 -0.010 A ATOM 19 C LIG 1 -5.212 2.818 -0.913 0.00 0.00 +0.010 A ATOM 20 C LIG 1 -6.574 3.111 -0.993 0.00 0.00 +0.039 A ATOM 21 C LIG 1 -7.011 4.407 -0.754 0.00 0.00 +0.123 A ATOM 22 F LIG 1 -8.318 4.689 -0.832 0.00 0.00 -0.205 F ATOM 23 C LIG 1 -6.111 5.418 -0.438 0.00 0.00 +0.039 A ATOM 24 C LIG 1 -4.748 5.127 -0.355 0.00 0.00 +0.010 A ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 2 16 BRANCH 5 25 ATOM 25 O LIG 1 2.429 -0.041 0.219 0.00 0.00 -0.487 OA BRANCH 25 26 ATOM 26 C LIG 1 2.599 -1.404 0.603 0.00 0.00 +0.264 C BRANCH 26 27 ATOM 27 C LIG 1 4.063 -1.750 0.484 0.00 0.00 -0.010 A ATOM 28 C LIG 1 4.994 -1.191 1.374 0.00 0.00 +0.015 A ATOM 29 C LIG 1 6.362 -1.498 1.285 0.00 0.00 -0.018 A ATOM 30 C LIG 1 6.809 -2.382 0.277 0.00 0.00 -0.018 A ATOM 31 C LIG 1 8.176 -2.689 0.188 0.00 0.00 +0.008 A ATOM 32 C LIG 1 9.092 -2.130 1.081 0.00 0.00 +0.001 A ATOM 33 C LIG 1 8.653 -1.259 2.073 0.00 0.00 +0.001 A ATOM 34 C LIG 1 5.875 -2.932 -0.615 0.00 0.00 +0.009 A ATOM 35 C LIG 1 7.297 -0.944 2.175 0.00 0.00 +0.008 A ATOM 36 C LIG 1 4.517 -2.618 -0.514 0.00 0.00 +0.007 A ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 5 25 TORSDOF 11