REMARK Name = BDB024616 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.522 -0.279 -0.930 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.769 -0.399 0.252 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.367 -1.033 1.453 0.00 0.00 +0.082 C ATOM 4 C LIG 1 6.462 -0.142 2.066 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.371 -1.370 2.576 0.00 0.00 +0.027 C ATOM 6 C LIG 1 3.070 -1.879 2.001 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.506 -0.789 1.138 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.131 -0.474 1.140 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.131 -0.995 1.919 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.967 -0.344 1.595 0.00 0.00 +0.112 A ATOM 11 N LIG 1 -0.734 0.496 0.517 0.00 0.00 -0.324 N ATOM 12 C LIG 1 0.628 0.498 0.285 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.461 1.232 -0.562 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.828 0.924 -0.550 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.366 -0.079 0.269 0.00 0.00 +0.045 A ATOM 16 O LIG 1 5.139 0.203 -1.992 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.740 1.245 -0.232 0.00 0.00 +0.089 C ATOM 18 C LIG 1 -1.732 2.745 0.113 0.00 0.00 +0.026 C ATOM 19 C LIG 1 -2.164 3.632 -1.058 0.00 0.00 +0.013 C ATOM 20 C LIG 1 -3.303 2.974 -1.843 0.00 0.00 +0.018 C ATOM 21 C LIG 1 -4.676 3.029 -1.124 0.00 0.00 +0.169 C ATOM 22 O LIG 1 -5.088 4.167 -1.923 0.00 0.00 -0.379 OA ATOM 23 C LIG 1 -3.991 3.937 -2.842 0.00 0.00 +0.169 C ATOM 24 C LIG 1 -2.922 1.613 -2.441 0.00 0.00 +0.013 C ATOM 25 C LIG 1 -1.697 1.008 -1.749 0.00 0.00 +0.026 C ENDBRANCH 11 17 BRANCH 1 27 ATOM 26 C LIG 1 7.579 -0.733 -1.980 0.00 0.00 +0.282 C ATOM 27 O LIG 1 6.776 -0.811 -0.801 0.00 0.00 -0.453 OA ENDBRANCH 1 27 BRANCH 10 28 ATOM 28 C LIG 1 -2.267 -0.498 2.326 0.00 0.00 +0.093 C BRANCH 28 29 ATOM 29 C LIG 1 -2.940 -1.867 2.123 0.00 0.00 +0.135 C BRANCH 29 30 ATOM 30 C LIG 1 -3.395 -2.081 0.681 0.00 0.00 -0.033 A ATOM 31 C LIG 1 -4.716 -1.763 0.323 0.00 0.00 +0.004 A ATOM 32 C LIG 1 -5.160 -1.908 -0.992 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -4.290 -2.376 -1.972 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -2.975 -2.686 -1.639 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -2.527 -2.529 -0.326 0.00 0.00 +0.004 A ENDBRANCH 29 30 BRANCH 29 36 ATOM 36 C LIG 1 -2.143 -2.966 2.804 0.00 0.00 +0.313 C ATOM 37 O LIG 1 -1.775 -2.934 3.972 0.00 0.00 -0.250 OA BRANCH 36 38 ATOM 38 O LIG 1 -1.904 -4.072 2.079 0.00 0.00 -0.480 OA ATOM 39 H LIG 1 -1.373 -4.633 2.682 0.00 0.00 +0.295 HD ENDBRANCH 36 38 ENDBRANCH 29 36 ENDBRANCH 28 29 ENDBRANCH 10 28 TORSDOF 7