REMARK Name = BDB025133 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.130 0.291 -0.616 0.00 0.00 +0.407 C ATOM 2 N LIG 1 5.116 -0.660 -0.406 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.432 -2.109 -0.468 0.00 0.00 +0.082 C ATOM 4 C LIG 1 6.290 -2.546 0.734 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.210 -3.041 -0.516 0.00 0.00 +0.027 C ATOM 6 C LIG 1 3.120 -2.450 -1.380 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.730 -1.135 -0.773 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.382 -0.727 -0.692 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.257 -1.391 -1.095 0.00 0.00 -0.231 NA ATOM 10 C LIG 1 -0.775 -0.627 -0.782 0.00 0.00 +0.123 A ATOM 11 N LIG 1 -0.333 0.571 -0.240 0.00 0.00 -0.324 N ATOM 12 C LIG 1 1.050 0.506 -0.152 0.00 0.00 +0.069 A ATOM 13 C LIG 1 2.026 1.385 0.328 0.00 0.00 +0.030 A ATOM 14 C LIG 1 3.364 0.977 0.238 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.736 -0.260 -0.306 0.00 0.00 +0.045 A ATOM 16 O LIG 1 5.994 1.510 -0.632 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.107 1.754 0.132 0.00 0.00 +0.090 C ATOM 18 C LIG 1 -2.147 1.516 1.236 0.00 0.00 +0.039 C ATOM 19 C LIG 1 -2.780 2.829 1.732 0.00 0.00 +0.100 C ATOM 20 C LIG 1 -2.843 3.921 0.655 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -2.925 3.330 -0.748 0.00 0.00 +0.003 C ATOM 22 C LIG 1 -1.687 2.497 -1.087 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 -2.098 3.368 2.970 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -2.663 3.854 3.935 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -0.755 3.329 2.911 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -0.466 3.711 3.768 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 8.407 0.630 -1.106 0.00 0.00 +0.282 C ATOM 28 O LIG 1 7.345 -0.291 -0.858 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 -2.210 -1.018 -1.047 0.00 0.00 +0.138 C ATOM 30 C LIG 1 -2.290 -2.050 -2.178 0.00 0.00 +0.025 C BRANCH 29 31 ATOM 31 C LIG 1 -2.854 -1.605 0.216 0.00 0.00 +0.226 C ATOM 32 N LIG 1 -4.235 -1.526 0.311 0.00 0.00 -0.301 N ATOM 33 C LIG 1 -4.926 -2.051 1.479 0.00 0.00 +0.108 C ATOM 34 C LIG 1 -6.320 -1.444 1.405 0.00 0.00 +0.020 C ATOM 35 C LIG 1 -6.540 -1.278 -0.092 0.00 0.00 +0.020 C ATOM 36 C LIG 1 -5.164 -0.860 -0.591 0.00 0.00 +0.108 C ATOM 37 O LIG 1 -2.199 -2.120 1.124 0.00 0.00 -0.275 OA ENDBRANCH 29 31 ENDBRANCH 10 29 TORSDOF 6