REMARK Name = BDB019616 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.903 0.502 0.825 0.00 0.00 +0.038 A ATOM 2 C LIG 1 0.134 -0.562 0.339 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -1.103 -0.337 -0.285 0.00 0.00 -0.013 A ATOM 4 C LIG 1 -1.556 0.988 -0.402 0.00 0.00 +0.013 A ATOM 5 C LIG 1 -0.805 2.068 0.087 0.00 0.00 -0.029 A ATOM 6 C LIG 1 0.427 1.813 0.707 0.00 0.00 +0.018 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -1.911 -1.464 -0.788 0.00 0.00 +0.024 A ATOM 8 C LIG 1 -2.253 -1.603 -2.151 0.00 0.00 +0.128 A ATOM 9 C LIG 1 -3.028 -2.693 -2.562 0.00 0.00 +0.046 A ATOM 10 C LIG 1 -3.463 -3.649 -1.639 0.00 0.00 +0.007 A ATOM 11 C LIG 1 -3.136 -3.538 -0.285 0.00 0.00 -0.044 A ATOM 12 C LIG 1 -2.361 -2.442 0.124 0.00 0.00 +0.016 A BRANCH 11 13 ATOM 13 C LIG 1 -3.595 -4.562 0.738 0.00 0.00 +0.013 C ATOM 14 C LIG 1 -3.014 -5.948 0.444 0.00 0.00 +0.012 C ATOM 15 C LIG 1 -5.122 -4.619 0.832 0.00 0.00 +0.012 C ENDBRANCH 11 13 BRANCH 8 16 ATOM 16 O LIG 1 -1.780 -0.632 -3.000 0.00 0.00 -0.495 OA ATOM 17 C LIG 1 -2.020 -0.798 -4.391 0.00 0.00 +0.277 C ENDBRANCH 8 16 ENDBRANCH 3 7 BRANCH 1 20 ATOM 18 N LIG 1 3.162 1.181 1.440 0.00 0.00 -0.306 N ATOM 19 H LIG 1 3.057 1.935 0.775 0.00 0.00 +0.149 HD ATOM 20 C LIG 1 2.205 0.191 1.479 0.00 0.00 +0.244 C ATOM 21 O LIG 1 2.397 -0.911 1.982 0.00 0.00 -0.270 OA BRANCH 18 22 ATOM 22 C LIG 1 4.518 0.926 1.883 0.00 0.00 +0.160 C BRANCH 22 25 ATOM 23 C LIG 1 6.199 -1.351 -0.635 0.00 0.00 +0.123 A ATOM 24 C LIG 1 5.429 -0.929 0.444 0.00 0.00 +0.070 A ATOM 25 C LIG 1 5.384 0.431 0.747 0.00 0.00 +0.062 A ATOM 26 N LIG 1 6.045 1.368 0.019 0.00 0.00 -0.258 NA ATOM 27 C LIG 1 6.791 0.927 -1.016 0.00 0.00 +0.114 A ATOM 28 C LIG 1 6.899 -0.404 -1.374 0.00 0.00 +0.065 A BRANCH 23 30 ATOM 29 C LIG 1 5.583 -3.632 -0.382 0.00 0.00 +0.277 C ATOM 30 O LIG 1 6.346 -2.641 -1.063 0.00 0.00 -0.495 OA ENDBRANCH 23 30 ENDBRANCH 22 25 ENDBRANCH 18 22 ENDBRANCH 1 20 BRANCH 5 31 ATOM 31 C LIG 1 -1.317 3.483 -0.049 0.00 0.00 +0.139 C BRANCH 31 32 ATOM 32 N LIG 1 -1.536 4.051 1.267 0.00 0.00 -0.313 N ATOM 33 H LIG 1 -2.041 3.411 1.875 0.00 0.00 +0.149 HD BRANCH 32 34 ATOM 34 C LIG 1 -2.026 5.298 1.429 0.00 0.00 +0.176 C ATOM 35 N LIG 1 -1.534 6.281 0.633 0.00 0.00 -0.316 N ATOM 36 H LIG 1 -0.533 6.217 0.494 0.00 0.00 +0.149 HD ATOM 37 C LIG 1 -1.989 7.538 1.192 0.00 0.00 +0.127 C ATOM 38 C LIG 1 -3.122 7.073 2.112 0.00 0.00 +0.163 C ATOM 39 N LIG 1 -2.912 5.615 2.326 0.00 0.00 -0.255 NA ENDBRANCH 32 34 ENDBRANCH 31 32 ENDBRANCH 5 31 TORSDOF 10