REMARK Name = BDB035287 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.476 -0.352 -1.463 0.00 0.00 -0.012 A ATOM 2 C LIG 1 -2.236 -0.458 -0.831 0.00 0.00 +0.055 A ATOM 3 C LIG 1 -1.449 0.672 -0.629 0.00 0.00 +0.141 A ATOM 4 N LIG 1 -1.863 1.879 -1.071 0.00 0.00 -0.234 NA ATOM 5 C LIG 1 -3.051 2.021 -1.707 0.00 0.00 +0.047 A ATOM 6 C LIG 1 -3.870 0.913 -1.909 0.00 0.00 +0.032 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -0.202 0.572 0.079 0.00 0.00 -0.266 N ATOM 8 C LIG 1 0.813 1.530 -0.210 0.00 0.00 +0.281 A ATOM 9 O LIG 1 0.776 2.417 -1.058 0.00 0.00 -0.265 OA ATOM 10 C LIG 1 2.014 1.347 0.578 0.00 0.00 +0.113 A ATOM 11 C LIG 1 2.211 0.366 1.518 0.00 0.00 +0.010 A ATOM 12 C LIG 1 3.503 0.533 2.059 0.00 0.00 +0.033 A ATOM 13 C LIG 1 4.089 1.602 1.399 0.00 0.00 +0.031 A ATOM 14 C LIG 1 1.157 -0.566 1.760 0.00 0.00 -0.018 A ATOM 15 N LIG 1 3.153 2.102 0.515 0.00 0.00 -0.353 N ATOM 16 H LIG 1 3.279 2.890 -0.107 0.00 0.00 +0.166 HD ATOM 17 C LIG 1 0.011 -0.424 1.056 0.00 0.00 +0.100 A BRANCH 14 18 ATOM 18 C LIG 1 1.370 -1.578 2.812 0.00 0.00 +0.021 C ATOM 19 C LIG 1 2.366 -2.690 2.580 0.00 0.00 +0.009 C ATOM 20 C LIG 1 0.901 -2.999 2.611 0.00 0.00 +0.009 C ENDBRANCH 14 18 BRANCH 13 21 ATOM 21 C LIG 1 5.440 2.225 1.541 0.00 0.00 +0.137 C BRANCH 21 22 ATOM 22 N LIG 1 6.478 1.649 0.681 0.00 0.00 -0.296 NA ATOM 23 C LIG 1 6.931 0.323 1.118 0.00 0.00 +0.088 C ATOM 24 C LIG 1 7.860 -0.396 0.113 0.00 0.00 +0.000 C ATOM 25 C LIG 1 7.129 -1.510 -0.645 0.00 0.00 +0.009 C ATOM 26 C LIG 1 8.504 0.606 -0.850 0.00 0.00 +0.006 C ATOM 27 C LIG 1 7.469 1.478 -1.566 0.00 0.00 +0.016 C ATOM 28 C LIG 1 6.196 1.717 -0.746 0.00 0.00 +0.085 C ENDBRANCH 21 22 ENDBRANCH 13 21 ENDBRANCH 3 7 BRANCH 1 30 ATOM 29 C LIG 1 -4.829 -2.334 -0.626 0.00 0.00 +0.047 A ATOM 30 C LIG 1 -4.331 -1.533 -1.678 0.00 0.00 -0.005 A ATOM 31 C LIG 1 -4.684 -1.898 -2.993 0.00 0.00 +0.012 A ATOM 32 C LIG 1 -5.488 -3.013 -3.246 0.00 0.00 +0.039 A ATOM 33 C LIG 1 -5.946 -3.784 -2.187 0.00 0.00 +0.124 A ATOM 34 F LIG 1 -6.714 -4.853 -2.432 0.00 0.00 -0.205 F ATOM 35 C LIG 1 -5.623 -3.462 -0.878 0.00 0.00 +0.052 A BRANCH 29 37 ATOM 36 N LIG 1 -5.480 -1.441 1.584 0.00 0.00 -0.301 N ATOM 37 C LIG 1 -4.514 -2.058 0.791 0.00 0.00 +0.247 C ATOM 38 O LIG 1 -3.423 -2.442 1.207 0.00 0.00 -0.270 OA ATOM 39 C LIG 1 -5.149 -1.203 2.981 0.00 0.00 +0.132 C BRANCH 36 41 ATOM 40 C LIG 1 -6.571 0.709 0.972 0.00 0.00 +0.024 C ATOM 41 C LIG 1 -6.699 -0.803 1.076 0.00 0.00 +0.104 C ENDBRANCH 36 41 ENDBRANCH 29 37 ENDBRANCH 1 30 BRANCH 5 42 ATOM 42 C LIG 1 -3.414 3.422 -2.154 0.00 0.00 +0.038 C ATOM 43 C LIG 1 -4.190 3.686 -3.422 0.00 0.00 +0.010 C ATOM 44 C LIG 1 -4.833 3.937 -2.088 0.00 0.00 +0.010 C ENDBRANCH 5 42 TORSDOF 8