REMARK Name = BDB039118 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.306 2.789 2.555 0.00 0.00 +0.403 C ATOM 2 N LIG 1 3.979 1.884 1.561 0.00 0.00 -0.263 N ATOM 3 C LIG 1 2.578 1.774 1.188 0.00 0.00 +0.148 C ATOM 4 C LIG 1 2.244 0.573 0.337 0.00 0.00 +0.001 A ATOM 5 C LIG 1 3.230 -0.346 -0.119 0.00 0.00 -0.036 A ATOM 6 C LIG 1 2.863 -1.502 -0.856 0.00 0.00 -0.036 A ATOM 7 C LIG 1 1.515 -1.686 -1.230 0.00 0.00 +0.032 A ATOM 8 C LIG 1 0.563 -0.748 -0.808 0.00 0.00 +0.070 A ATOM 9 N LIG 1 -0.810 -0.636 -1.000 0.00 0.00 -0.324 N ATOM 10 C LIG 1 -1.234 0.470 -0.282 0.00 0.00 +0.114 A ATOM 11 N LIG 1 -0.202 1.088 0.262 0.00 0.00 -0.232 NA ATOM 12 C LIG 1 4.676 -0.074 0.255 0.00 0.00 +0.055 C ATOM 13 C LIG 1 0.905 0.346 -0.035 0.00 0.00 +0.094 A ATOM 14 C LIG 1 4.943 1.391 0.593 0.00 0.00 +0.116 C ATOM 15 O LIG 1 3.481 3.385 3.238 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 C LIG 1 -2.652 0.961 -0.124 0.00 0.00 +0.055 C ATOM 17 C LIG 1 -2.962 2.072 -1.150 0.00 0.00 +0.012 C ATOM 18 C LIG 1 -2.871 3.478 -0.558 0.00 0.00 +0.015 C ATOM 19 C LIG 1 -3.806 3.675 0.647 0.00 0.00 +0.098 C ATOM 20 C LIG 1 -4.101 2.374 1.403 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -2.917 1.419 1.327 0.00 0.00 +0.012 C BRANCH 19 22 ATOM 22 C LIG 1 -5.106 4.349 0.269 0.00 0.00 +0.308 C ATOM 23 O LIG 1 -5.654 5.243 0.894 0.00 0.00 -0.251 OA BRANCH 22 24 ATOM 24 O LIG 1 -5.690 3.838 -0.830 0.00 0.00 -0.480 OA ATOM 25 H LIG 1 -6.515 4.361 -0.917 0.00 0.00 +0.295 HD ENDBRANCH 22 24 ENDBRANCH 19 22 ENDBRANCH 10 16 BRANCH 6 26 ATOM 26 C LIG 1 3.896 -2.533 -1.279 0.00 0.00 +0.047 C ATOM 27 C LIG 1 4.286 -2.451 -2.751 0.00 0.00 +0.168 C ATOM 28 O LIG 1 4.793 -3.744 -3.124 0.00 0.00 -0.379 OA ATOM 29 C LIG 1 4.546 -4.658 -2.046 0.00 0.00 +0.160 C ATOM 30 C LIG 1 3.516 -4.002 -1.151 0.00 0.00 +0.038 C ENDBRANCH 6 26 BRANCH 1 32 ATOM 31 C LIG 1 6.025 3.869 3.722 0.00 0.00 +0.282 C ATOM 32 O LIG 1 5.651 2.947 2.698 0.00 0.00 -0.454 OA ENDBRANCH 1 32 BRANCH 9 33 ATOM 33 C LIG 1 -1.564 -1.565 -1.843 0.00 0.00 +0.090 C ATOM 34 C LIG 1 -2.645 -0.955 -2.740 0.00 0.00 +0.031 C BRANCH 33 35 ATOM 35 C LIG 1 -2.007 -2.849 -1.108 0.00 0.00 +0.060 C BRANCH 35 36 ATOM 36 C LIG 1 -3.050 -2.692 -0.032 0.00 0.00 -0.045 A ATOM 37 C LIG 1 -2.666 -2.478 1.299 0.00 0.00 +0.004 A ATOM 38 C LIG 1 -3.629 -2.344 2.300 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -4.983 -2.416 1.982 0.00 0.00 +0.000 A ATOM 40 C LIG 1 -5.376 -2.631 0.663 0.00 0.00 +0.000 A ATOM 41 C LIG 1 -4.415 -2.772 -0.339 0.00 0.00 +0.004 A ENDBRANCH 35 36 ENDBRANCH 33 35 ENDBRANCH 9 33 TORSDOF 8