REMARK Name = BDB025163 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.655 -2.005 -2.412 0.00 0.00 +0.407 C ATOM 2 N LIG 1 -4.255 -2.032 -2.360 0.00 0.00 -0.234 N ATOM 3 C LIG 1 -3.608 -3.128 -3.097 0.00 0.00 +0.082 C ATOM 4 C LIG 1 -3.212 -2.692 -4.511 0.00 0.00 +0.028 C ATOM 5 C LIG 1 -2.452 -3.717 -2.295 0.00 0.00 +0.027 C ATOM 6 C LIG 1 -1.410 -2.660 -1.996 0.00 0.00 +0.041 C ATOM 7 C LIG 1 -2.024 -1.372 -1.519 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -1.199 -0.410 -0.892 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.138 -0.487 -0.606 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 0.464 0.638 0.001 0.00 0.00 +0.115 A ATOM 11 N LIG 1 -0.633 1.480 0.071 0.00 0.00 -0.324 N ATOM 12 C LIG 1 -1.712 0.811 -0.481 0.00 0.00 +0.069 A ATOM 13 C LIG 1 -3.051 1.145 -0.677 0.00 0.00 +0.030 A ATOM 14 C LIG 1 -3.866 0.191 -1.305 0.00 0.00 +0.026 A ATOM 15 C LIG 1 -3.397 -1.070 -1.711 0.00 0.00 +0.045 A ATOM 16 O LIG 1 -6.315 -2.678 -3.201 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -0.701 2.835 0.615 0.00 0.00 +0.090 C ATOM 18 C LIG 1 -0.656 2.858 2.154 0.00 0.00 +0.039 C ATOM 19 C LIG 1 -0.171 4.203 2.713 0.00 0.00 +0.100 C ATOM 20 C LIG 1 -0.582 5.373 1.816 0.00 0.00 +0.015 C ATOM 21 C LIG 1 0.020 5.260 0.413 0.00 0.00 +0.003 C ATOM 22 C LIG 1 0.293 3.817 -0.023 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 -0.657 4.380 4.132 0.00 0.00 +0.308 C ATOM 24 O LIG 1 0.002 4.174 5.138 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -1.946 4.750 4.223 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -2.115 4.796 5.188 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 -7.671 -1.263 -1.463 0.00 0.00 +0.282 C ATOM 28 O LIG 1 -6.244 -1.232 -1.456 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 1.842 0.956 0.507 0.00 0.00 +0.111 C BRANCH 29 30 ATOM 30 C LIG 1 2.641 -0.233 0.984 0.00 0.00 -0.019 A ATOM 31 C LIG 1 3.991 -0.375 0.639 0.00 0.00 +0.052 A ATOM 32 C LIG 1 4.744 -1.442 1.130 0.00 0.00 +0.139 A ATOM 33 C LIG 1 4.100 -2.336 1.973 0.00 0.00 +0.156 A ATOM 34 N LIG 1 2.801 -2.231 2.347 0.00 0.00 -0.259 NA ATOM 35 C LIG 1 2.104 -1.189 1.840 0.00 0.00 +0.115 A BRANCH 32 36 ATOM 36 O LIG 1 6.042 -1.474 0.714 0.00 0.00 -0.488 OA BRANCH 36 37 ATOM 37 C LIG 1 6.909 -2.493 1.225 0.00 0.00 +0.167 C ATOM 38 C LIG 1 8.328 -1.933 1.156 0.00 0.00 +0.051 C ATOM 39 C LIG 1 6.801 -3.749 0.367 0.00 0.00 +0.051 C ENDBRANCH 36 37 ENDBRANCH 32 36 ENDBRANCH 29 30 ENDBRANCH 10 29 TORSDOF 8