REMARK Name = BDB022687 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.235 1.248 4.515 0.00 0.00 +0.139 C ENDROOT BRANCH 1 4 ATOM 2 C LIG 1 1.946 -1.674 2.748 0.00 0.00 +0.034 A ATOM 3 C LIG 1 1.520 -0.385 3.071 0.00 0.00 +0.028 A ATOM 4 C LIG 1 0.757 -0.142 4.227 0.00 0.00 -0.029 A ATOM 5 C LIG 1 0.442 -1.214 5.074 0.00 0.00 +0.005 A ATOM 6 C LIG 1 0.878 -2.501 4.766 0.00 0.00 +0.002 A ATOM 7 C LIG 1 1.621 -2.730 3.606 0.00 0.00 +0.023 A BRANCH 2 9 ATOM 8 C LIG 1 3.092 -1.152 0.576 0.00 0.00 +0.270 C ATOM 9 N LIG 1 2.672 -1.990 1.588 0.00 0.00 -0.280 N ATOM 10 H LIG 1 2.915 -2.965 1.426 0.00 0.00 +0.155 HD ATOM 11 O LIG 1 2.944 0.066 0.505 0.00 0.00 -0.268 OA BRANCH 8 13 ATOM 12 C LIG 1 4.322 -1.336 -1.694 0.00 0.00 +0.084 A ATOM 13 C LIG 1 3.783 -1.890 -0.495 0.00 0.00 +0.168 A ATOM 14 N LIG 1 3.971 -3.227 -0.439 0.00 0.00 -0.165 NA ATOM 15 N LIG 1 4.623 -3.501 -1.588 0.00 0.00 -0.272 N ATOM 16 C LIG 1 4.996 -4.862 -1.893 0.00 0.00 +0.172 C ATOM 17 C LIG 1 4.853 -2.408 -2.365 0.00 0.00 +0.132 A BRANCH 12 19 ATOM 18 C LIG 1 4.805 0.514 -3.230 0.00 0.00 +0.241 C ATOM 19 N LIG 1 4.297 -0.001 -2.065 0.00 0.00 -0.279 N ATOM 20 H LIG 1 3.832 0.615 -1.403 0.00 0.00 +0.155 HD ATOM 21 O LIG 1 5.313 -0.116 -4.151 0.00 0.00 -0.271 OA BRANCH 18 23 ATOM 22 C LIG 1 4.525 2.885 -2.386 0.00 0.00 +0.013 C ATOM 23 C LIG 1 4.667 1.992 -3.376 0.00 0.00 +0.060 C ENDBRANCH 18 23 ENDBRANCH 12 19 ENDBRANCH 8 13 ENDBRANCH 2 9 ENDBRANCH 1 4 BRANCH 1 24 ATOM 24 N LIG 1 -1.178 1.348 4.182 0.00 0.00 -0.309 N ATOM 25 H LIG 1 -1.748 0.818 4.830 0.00 0.00 +0.149 HD BRANCH 24 26 ATOM 26 C LIG 1 -1.665 1.172 2.898 0.00 0.00 +0.221 A ATOM 27 N LIG 1 -1.038 1.695 1.756 0.00 0.00 -0.183 N ATOM 28 C LIG 1 -1.534 1.426 0.510 0.00 0.00 +0.166 A ATOM 29 C LIG 1 -0.655 2.002 -0.386 0.00 0.00 +0.019 A ATOM 30 C LIG 1 0.295 2.654 0.442 0.00 0.00 +0.141 A ATOM 31 N LIG 1 -2.668 0.696 0.374 0.00 0.00 -0.195 NA ATOM 32 C LIG 1 -3.241 0.259 1.462 0.00 0.00 +0.220 A ATOM 33 N LIG 1 0.052 2.498 1.747 0.00 0.00 -0.170 NA ATOM 34 N LIG 1 -2.764 0.483 2.737 0.00 0.00 -0.181 NA BRANCH 29 35 ATOM 35 C LIG 1 -0.703 1.942 -1.881 0.00 0.00 +0.018 C ATOM 36 C LIG 1 0.581 1.343 -2.461 0.00 0.00 +0.012 C ATOM 37 C LIG 1 -0.981 3.315 -2.493 0.00 0.00 +0.012 C ENDBRANCH 29 35 BRANCH 32 38 ATOM 38 N LIG 1 -4.392 -0.475 1.424 0.00 0.00 -0.310 N ATOM 39 H LIG 1 -4.807 -0.562 2.342 0.00 0.00 +0.149 HD BRANCH 38 40 ATOM 40 C LIG 1 -5.329 -0.527 0.312 0.00 0.00 +0.077 C ATOM 41 C LIG 1 -5.881 0.855 -0.028 0.00 0.00 +0.050 C ATOM 42 C LIG 1 -6.866 0.775 -1.192 0.00 0.00 +0.161 C ATOM 43 O LIG 1 -6.598 -0.289 -2.104 0.00 0.00 -0.380 OA ATOM 44 C LIG 1 -5.211 -0.598 -2.206 0.00 0.00 +0.161 C ATOM 45 C LIG 1 -4.739 -1.241 -0.909 0.00 0.00 +0.050 C ENDBRANCH 38 40 ENDBRANCH 32 38 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 10