REMARK Name = BDB025125 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.860 0.188 -0.137 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.797 -0.714 0.052 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.018 -2.169 -0.135 0.00 0.00 +0.082 C ATOM 4 C LIG 1 5.901 -2.750 0.984 0.00 0.00 +0.028 C ATOM 5 C LIG 1 3.739 -3.020 -0.192 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.650 -2.299 -0.952 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.371 -1.016 -0.226 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.057 -0.534 -0.049 0.00 0.00 +0.096 A ATOM 9 N LIG 1 -0.126 -1.095 -0.446 0.00 0.00 -0.214 NA ATOM 10 C LIG 1 -1.086 -0.276 -0.077 0.00 0.00 +0.201 A ATOM 11 N LIG 1 -0.547 0.809 0.603 0.00 0.00 -0.308 N ATOM 12 C LIG 1 0.831 0.669 0.600 0.00 0.00 +0.071 A ATOM 13 C LIG 1 1.879 1.453 1.089 0.00 0.00 +0.030 A ATOM 14 C LIG 1 3.183 0.974 0.900 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.452 -0.240 0.251 0.00 0.00 +0.045 A ATOM 16 O LIG 1 5.802 1.410 -0.054 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.247 1.929 1.234 0.00 0.00 +0.091 C ATOM 18 C LIG 1 -1.878 2.886 0.207 0.00 0.00 +0.040 C ATOM 19 C LIG 1 -2.622 4.065 0.853 0.00 0.00 +0.100 C ATOM 20 C LIG 1 -3.566 3.609 1.969 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -2.880 2.711 2.997 0.00 0.00 +0.003 C ATOM 22 C LIG 1 -2.227 1.499 2.337 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 -1.662 5.124 1.357 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -0.479 4.979 1.612 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -2.258 6.319 1.524 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -1.541 6.909 1.841 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 8.129 0.426 -0.718 0.00 0.00 +0.282 C ATOM 28 O LIG 1 7.022 -0.446 -0.485 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 N LIG 1 -2.418 -0.397 -0.297 0.00 0.00 -0.285 N ATOM 30 H LIG 1 -3.041 0.355 -0.044 0.00 0.00 +0.155 HD BRANCH 29 31 ATOM 31 C LIG 1 -3.114 -1.450 -0.934 0.00 0.00 +0.037 A ATOM 32 C LIG 1 -4.505 -1.319 -1.107 0.00 0.00 +0.069 A ATOM 33 C LIG 1 -5.274 -2.314 -1.724 0.00 0.00 +0.122 A ATOM 34 C LIG 1 -4.650 -3.471 -2.180 0.00 0.00 +0.046 A ATOM 35 C LIG 1 -3.274 -3.624 -2.017 0.00 0.00 +0.005 A ATOM 36 C LIG 1 -2.517 -2.623 -1.399 0.00 0.00 +0.023 A BRANCH 33 37 ATOM 37 O LIG 1 -6.609 -2.030 -1.814 0.00 0.00 -0.495 OA ATOM 38 C LIG 1 -7.432 -3.007 -2.439 0.00 0.00 +0.277 C ENDBRANCH 33 37 ENDBRANCH 29 31 ENDBRANCH 10 29 TORSDOF 7