REMARK Name = BDB025940 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.085 -0.617 -0.604 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.467 0.591 -0.205 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.928 0.693 -0.155 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.752 -0.394 -0.507 0.00 0.00 +0.022 A ATOM 5 C LIG 1 1.114 -1.579 -0.904 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.842 -2.648 -1.264 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.275 -1.698 -0.955 0.00 0.00 +0.064 A ENDROOT BRANCH 4 8 ATOM 8 C LIG 1 3.217 -0.281 -0.460 0.00 0.00 +0.021 A ATOM 9 C LIG 1 3.913 0.835 -0.881 0.00 0.00 +0.124 A ATOM 10 N LIG 1 5.258 0.967 -0.844 0.00 0.00 -0.222 NA ATOM 11 C LIG 1 5.978 -0.058 -0.361 0.00 0.00 +0.218 A ATOM 12 N LIG 1 5.400 -1.190 0.072 0.00 0.00 -0.222 NA ATOM 13 C LIG 1 4.051 -1.274 0.012 0.00 0.00 +0.124 A BRANCH 11 14 ATOM 14 N LIG 1 7.370 0.043 -0.340 0.00 0.00 -0.295 N ATOM 15 C LIG 1 8.016 -0.843 0.640 0.00 0.00 +0.136 C ATOM 16 C LIG 1 9.544 -0.726 0.529 0.00 0.00 +0.179 C ATOM 17 O LIG 1 9.982 0.636 0.663 0.00 0.00 -0.377 OA ATOM 18 C LIG 1 9.399 1.440 -0.376 0.00 0.00 +0.179 C ATOM 19 C LIG 1 7.865 1.427 -0.310 0.00 0.00 +0.136 C ENDBRANCH 11 14 ENDBRANCH 4 8 BRANCH 1 22 ATOM 20 C LIG 1 -4.349 -2.189 -0.382 0.00 0.00 +0.075 C ATOM 21 C LIG 1 -3.074 -1.650 0.318 0.00 0.00 +0.124 C ATOM 22 N LIG 1 -2.500 -0.668 -0.634 0.00 0.00 -0.327 N ATOM 23 C LIG 1 -3.059 -0.943 -1.974 0.00 0.00 +0.107 C ATOM 24 C LIG 1 -3.853 -2.237 -1.832 0.00 0.00 +0.039 C BRANCH 20 25 ATOM 25 N LIG 1 -4.854 -3.486 0.127 0.00 0.00 -0.301 NA ATOM 26 C LIG 1 -5.984 -3.965 -0.679 0.00 0.00 +0.105 C BRANCH 25 28 ATOM 27 C LIG 1 -5.557 -4.729 2.197 0.00 0.00 +0.020 C ATOM 28 C LIG 1 -5.229 -3.384 1.552 0.00 0.00 +0.081 C ENDBRANCH 25 28 ENDBRANCH 20 25 ENDBRANCH 1 22 BRANCH 2 29 ATOM 29 N LIG 1 -1.351 1.643 0.116 0.00 0.00 -0.280 N ATOM 30 H LIG 1 -2.324 1.361 -0.001 0.00 0.00 +0.155 HD ATOM 31 C LIG 1 -1.046 2.913 0.532 0.00 0.00 +0.250 C ATOM 32 O LIG 1 0.064 3.381 0.749 0.00 0.00 -0.270 OA BRANCH 31 33 ATOM 33 C LIG 1 -2.260 3.744 0.772 0.00 0.00 +0.065 A ATOM 34 C LIG 1 -3.175 4.177 -0.280 0.00 0.00 +0.073 A ATOM 35 C LIG 1 -4.237 4.942 0.048 0.00 0.00 +0.083 A ATOM 36 C LIG 1 -4.480 5.339 1.457 0.00 0.00 +0.249 A ATOM 37 O LIG 1 -5.452 6.016 1.765 0.00 0.00 -0.268 OA ATOM 38 N LIG 1 -3.553 4.899 2.368 0.00 0.00 -0.328 N ATOM 39 H LIG 1 -3.705 5.188 3.328 0.00 0.00 +0.168 HD ATOM 40 C LIG 1 -2.465 4.128 2.042 0.00 0.00 +0.099 A BRANCH 34 41 ATOM 41 C LIG 1 -2.888 3.792 -1.697 0.00 0.00 +0.418 C ATOM 42 F LIG 1 -3.692 4.441 -2.580 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -1.614 4.062 -2.066 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -3.099 2.467 -1.899 0.00 0.00 -0.166 F ENDBRANCH 34 41 ENDBRANCH 31 33 ENDBRANCH 2 29 TORSDOF 8