REMARK Name = BDB024977 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.636 0.404 -0.830 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.800 -0.261 0.085 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.347 -1.345 0.939 0.00 0.00 +0.082 C ATOM 4 C LIG 1 6.311 -0.787 2.002 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.294 -2.185 1.678 0.00 0.00 +0.027 C ATOM 6 C LIG 1 3.091 -2.431 0.797 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.512 -1.093 0.444 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.118 -0.872 0.416 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.105 -1.747 0.711 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -1.018 -1.080 0.546 0.00 0.00 +0.111 A ATOM 11 N LIG 1 -0.765 0.216 0.129 0.00 0.00 -0.324 N ATOM 12 C LIG 1 0.607 0.368 0.052 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.444 1.433 -0.290 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.827 1.204 -0.267 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.378 -0.036 0.085 0.00 0.00 +0.045 A ATOM 16 O LIG 1 5.300 1.282 -1.617 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.774 1.227 -0.181 0.00 0.00 +0.090 C ATOM 18 C LIG 1 -1.738 2.417 0.789 0.00 0.00 +0.039 C ATOM 19 C LIG 1 -2.842 3.429 0.462 0.00 0.00 +0.100 C ATOM 20 C LIG 1 -2.790 3.875 -1.002 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -2.847 2.682 -1.953 0.00 0.00 +0.003 C ATOM 22 C LIG 1 -1.740 1.672 -1.653 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 -2.773 4.615 1.394 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -3.625 4.929 2.209 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -1.645 5.337 1.268 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -1.741 6.053 1.931 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 7.806 0.552 -1.730 0.00 0.00 +0.282 C ATOM 28 O LIG 1 6.920 -0.069 -0.797 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 -2.375 -1.665 0.779 0.00 0.00 +0.079 C BRANCH 29 30 ATOM 30 C LIG 1 -2.979 -2.201 -0.520 0.00 0.00 +0.043 C BRANCH 30 31 ATOM 31 C LIG 1 -4.386 -2.704 -0.311 0.00 0.00 -0.047 A ATOM 32 C LIG 1 -4.610 -4.002 0.167 0.00 0.00 +0.003 A ATOM 33 C LIG 1 -5.910 -4.462 0.381 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -6.997 -3.628 0.123 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -6.785 -2.334 -0.349 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -5.485 -1.872 -0.564 0.00 0.00 +0.003 A ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 10 29 TORSDOF 7