REMARK Name = BDB024640 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.820 0.464 0.078 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.600 1.154 -0.053 0.00 0.00 -0.234 N ATOM 3 C LIG 1 4.743 2.601 -0.302 0.00 0.00 +0.082 C ATOM 4 C LIG 1 5.216 3.331 0.967 0.00 0.00 +0.028 C ATOM 5 C LIG 1 3.484 3.243 -0.878 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.300 2.964 0.023 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.155 1.483 0.219 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.874 0.940 0.470 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.321 1.598 0.612 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -1.237 0.671 0.798 0.00 0.00 +0.112 A ATOM 11 N LIG 1 -0.661 -0.588 0.816 0.00 0.00 -0.324 N ATOM 12 C LIG 1 0.693 -0.430 0.587 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.758 -1.318 0.453 0.00 0.00 +0.030 A ATOM 14 C LIG 1 3.030 -0.771 0.225 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.274 0.611 0.151 0.00 0.00 +0.045 A ATOM 16 O LIG 1 6.899 0.935 -0.282 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.367 -1.855 0.990 0.00 0.00 +0.089 C ATOM 18 C LIG 1 -1.362 -2.711 -0.286 0.00 0.00 +0.031 C ATOM 19 C LIG 1 -2.295 -3.936 -0.173 0.00 0.00 +0.016 C ATOM 20 C LIG 1 -2.418 -4.443 1.278 0.00 0.00 +0.006 C ATOM 21 C LIG 1 -1.161 -4.156 2.092 0.00 0.00 +0.002 C ATOM 22 C LIG 1 -0.908 -2.651 2.227 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 -3.677 -3.648 -0.777 0.00 0.00 +0.159 C BRANCH 23 24 ATOM 24 O LIG 1 -4.287 -2.556 -0.104 0.00 0.00 -0.395 OA ATOM 25 H LIG 1 -5.029 -2.247 -0.659 0.00 0.00 +0.209 HD ENDBRANCH 23 24 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 27 ATOM 26 C LIG 1 6.995 -1.399 0.895 0.00 0.00 +0.282 C ATOM 27 O LIG 1 5.742 -0.741 0.707 0.00 0.00 -0.453 OA ENDBRANCH 1 27 BRANCH 10 28 ATOM 28 C LIG 1 -2.700 0.967 0.962 0.00 0.00 +0.093 C BRANCH 28 29 ATOM 29 C LIG 1 -3.497 0.760 -0.339 0.00 0.00 +0.135 C BRANCH 29 30 ATOM 30 C LIG 1 -3.200 1.794 -1.414 0.00 0.00 -0.033 A ATOM 31 C LIG 1 -3.541 3.146 -1.246 0.00 0.00 +0.004 A ATOM 32 C LIG 1 -3.258 4.080 -2.244 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -2.629 3.678 -3.420 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -2.279 2.341 -3.598 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -2.561 1.405 -2.602 0.00 0.00 +0.004 A ENDBRANCH 29 30 BRANCH 29 36 ATOM 36 C LIG 1 -4.976 0.726 -0.006 0.00 0.00 +0.313 C ATOM 37 O LIG 1 -5.549 1.365 0.863 0.00 0.00 -0.250 OA BRANCH 36 38 ATOM 38 O LIG 1 -5.689 -0.101 -0.806 0.00 0.00 -0.480 OA ATOM 39 H LIG 1 -6.613 0.064 -0.517 0.00 0.00 +0.295 HD ENDBRANCH 36 38 ENDBRANCH 29 36 ENDBRANCH 28 29 ENDBRANCH 10 28 TORSDOF 9