REMARK Name = BDB035871 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.741 0.525 -1.253 0.00 0.00 -0.016 A ATOM 2 C LIG 1 -2.672 0.210 -0.503 0.00 0.00 +0.101 A ATOM 3 N LIG 1 -1.458 0.880 -0.604 0.00 0.00 -0.267 N ATOM 4 C LIG 1 -1.288 1.929 -1.507 0.00 0.00 +0.152 A ATOM 5 N LIG 1 -0.177 2.584 -1.634 0.00 0.00 -0.236 NA ATOM 6 C LIG 1 0.875 2.219 -0.847 0.00 0.00 +0.127 A ATOM 7 C LIG 1 0.870 1.233 0.059 0.00 0.00 +0.065 A ATOM 8 C LIG 1 -2.462 2.289 -2.352 0.00 0.00 +0.098 A ATOM 9 C LIG 1 -0.407 0.484 0.226 0.00 0.00 +0.266 A ATOM 10 O LIG 1 -0.486 -0.422 1.058 0.00 0.00 -0.267 OA ATOM 11 C LIG 1 -3.610 1.604 -2.209 0.00 0.00 +0.022 A ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 2.069 0.934 0.860 0.00 0.00 -0.011 A ATOM 13 C LIG 1 3.286 0.604 0.238 0.00 0.00 +0.013 A ATOM 14 C LIG 1 4.462 0.295 0.963 0.00 0.00 -0.033 A ATOM 15 C LIG 1 4.353 0.356 2.366 0.00 0.00 +0.004 A ATOM 16 C LIG 1 3.154 0.684 3.004 0.00 0.00 +0.001 A ATOM 17 C LIG 1 2.017 0.967 2.254 0.00 0.00 +0.009 A BRANCH 14 18 ATOM 18 C LIG 1 5.819 -0.111 0.188 0.00 0.00 +0.056 C ATOM 19 C LIG 1 6.531 1.064 -0.583 0.00 0.00 +0.022 C ATOM 20 C LIG 1 7.441 1.247 0.656 0.00 0.00 -0.012 C ATOM 21 C LIG 1 8.882 1.629 0.387 0.00 0.00 +0.007 C ATOM 22 C LIG 1 7.170 -0.242 0.977 0.00 0.00 +0.022 C BRANCH 18 23 ATOM 23 C LIG 1 5.557 -1.380 -0.722 0.00 0.00 +0.144 A ATOM 24 N LIG 1 5.149 -2.621 -0.315 0.00 0.00 -0.320 N ATOM 25 C LIG 1 4.865 -3.064 1.022 0.00 0.00 +0.151 C ATOM 26 C LIG 1 5.038 -3.370 -1.446 0.00 0.00 +0.224 A ATOM 27 N LIG 1 5.358 -2.640 -2.488 0.00 0.00 -0.138 NA ATOM 28 N LIG 1 5.679 -1.383 -2.033 0.00 0.00 -0.134 NA ENDBRANCH 18 23 ENDBRANCH 14 18 ENDBRANCH 7 12 BRANCH 8 29 ATOM 29 C LIG 1 -2.265 3.409 -3.312 0.00 0.00 +0.421 C ATOM 30 F LIG 1 -1.299 3.157 -4.231 0.00 0.00 -0.166 F ATOM 31 F LIG 1 -3.401 3.651 -4.030 0.00 0.00 -0.166 F ATOM 32 F LIG 1 -1.963 4.583 -2.701 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 1 33 ATOM 33 C LIG 1 -5.086 -0.175 -1.173 0.00 0.00 +0.121 C BRANCH 33 37 ATOM 34 C LIG 1 -8.927 -2.351 0.256 0.00 0.00 +0.009 C ATOM 35 C LIG 1 -7.832 -1.312 0.491 0.00 0.00 +0.000 C ATOM 36 C LIG 1 -6.470 -1.813 -0.008 0.00 0.00 +0.088 C ATOM 37 N LIG 1 -5.387 -0.821 0.115 0.00 0.00 -0.298 NA ATOM 38 C LIG 1 -5.630 0.176 1.175 0.00 0.00 +0.085 C ATOM 39 C LIG 1 -6.368 -0.419 2.372 0.00 0.00 +0.016 C ATOM 40 C LIG 1 -7.753 -0.932 1.977 0.00 0.00 +0.006 C ENDBRANCH 33 37 ENDBRANCH 1 33 TORSDOF 6