REMARK Name = BDB019759 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.092 -0.420 -0.119 0.00 0.00 +0.037 A ATOM 2 C LIG 1 -1.402 -0.905 -0.030 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -2.462 -0.252 -0.686 0.00 0.00 +0.012 A ATOM 4 C LIG 1 -2.183 0.940 -1.371 0.00 0.00 +0.126 A ATOM 5 C LIG 1 -0.871 1.416 -1.478 0.00 0.00 +0.047 A ATOM 6 C LIG 1 0.175 0.743 -0.847 0.00 0.00 +0.016 A ENDROOT BRANCH 1 9 ATOM 7 N LIG 1 2.190 -1.230 -0.043 0.00 0.00 -0.305 N ATOM 8 H LIG 1 2.297 -0.831 -0.965 0.00 0.00 +0.150 HD ATOM 9 C LIG 1 0.984 -1.135 0.612 0.00 0.00 +0.245 C ATOM 10 O LIG 1 0.764 -1.591 1.728 0.00 0.00 -0.270 OA BRANCH 7 11 ATOM 11 C LIG 1 3.388 -1.745 0.603 0.00 0.00 +0.101 C ATOM 12 C LIG 1 3.957 -2.903 -0.218 0.00 0.00 +0.033 C BRANCH 11 15 ATOM 13 C LIG 1 4.878 1.398 2.162 0.00 0.00 +0.124 A ATOM 14 C LIG 1 4.071 0.287 1.921 0.00 0.00 +0.051 A ATOM 15 C LIG 1 4.337 -0.583 0.846 0.00 0.00 -0.021 A ATOM 16 C LIG 1 5.435 -0.302 0.020 0.00 0.00 +0.051 A ATOM 17 C LIG 1 6.258 0.802 0.260 0.00 0.00 +0.124 A ATOM 18 C LIG 1 5.977 1.645 1.334 0.00 0.00 +0.091 A BRANCH 13 20 ATOM 19 C LIG 1 3.515 2.192 3.940 0.00 0.00 +0.277 C ATOM 20 O LIG 1 4.701 2.314 3.164 0.00 0.00 -0.495 OA ENDBRANCH 13 20 BRANCH 17 21 ATOM 21 O LIG 1 7.293 0.945 -0.625 0.00 0.00 -0.495 OA ATOM 22 C LIG 1 8.143 2.070 -0.443 0.00 0.00 +0.277 C ENDBRANCH 17 21 ENDBRANCH 11 15 ENDBRANCH 7 11 ENDBRANCH 1 9 BRANCH 3 23 ATOM 23 C LIG 1 -3.874 -0.782 -0.572 0.00 0.00 +0.143 C BRANCH 23 24 ATOM 24 N LIG 1 -3.891 -2.227 -0.730 0.00 0.00 -0.313 N ATOM 25 H LIG 1 -3.432 -2.512 -1.592 0.00 0.00 +0.149 HD BRANCH 24 26 ATOM 26 C LIG 1 -5.015 -2.955 -0.563 0.00 0.00 +0.176 C ATOM 27 N LIG 1 -5.810 -2.662 0.498 0.00 0.00 -0.316 N ATOM 28 H LIG 1 -5.285 -2.451 1.339 0.00 0.00 +0.149 HD ATOM 29 C LIG 1 -6.757 -3.752 0.627 0.00 0.00 +0.127 C ATOM 30 C LIG 1 -6.632 -4.432 -0.740 0.00 0.00 +0.163 C ATOM 31 N LIG 1 -5.350 -3.954 -1.329 0.00 0.00 -0.255 NA ENDBRANCH 24 26 ENDBRANCH 23 24 ENDBRANCH 3 23 BRANCH 4 32 ATOM 32 O LIG 1 -3.210 1.608 -1.984 0.00 0.00 -0.489 OA BRANCH 32 33 ATOM 33 C LIG 1 -3.411 2.935 -1.468 0.00 0.00 +0.167 C ATOM 34 C LIG 1 -3.342 3.914 -2.636 0.00 0.00 +0.051 C ATOM 35 C LIG 1 -4.790 2.976 -0.813 0.00 0.00 +0.051 C ENDBRANCH 32 33 ENDBRANCH 4 32 TORSDOF 10