REMARK Name = BDB025141 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.973 0.250 -0.630 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.895 -0.637 -0.464 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.174 -2.067 -0.715 0.00 0.00 +0.082 C ATOM 4 C LIG 1 6.044 -2.671 0.400 0.00 0.00 +0.028 C ATOM 5 C LIG 1 3.928 -2.953 -0.875 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.832 -2.211 -1.609 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.493 -0.996 -0.796 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.161 -0.579 -0.592 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.002 -1.155 -1.040 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.987 -0.415 -0.580 0.00 0.00 +0.114 A ATOM 11 N LIG 1 -0.494 0.661 0.140 0.00 0.00 -0.324 N ATOM 12 C LIG 1 0.885 0.556 0.161 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.902 1.312 0.749 0.00 0.00 +0.030 A ATOM 14 C LIG 1 3.224 0.898 0.535 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.539 -0.226 -0.241 0.00 0.00 +0.045 A ATOM 16 O LIG 1 7.130 -0.117 -0.821 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.285 1.734 0.741 0.00 0.00 +0.090 C ATOM 18 C LIG 1 -1.216 1.735 2.281 0.00 0.00 +0.039 C ATOM 19 C LIG 1 -1.506 3.113 2.898 0.00 0.00 +0.100 C ATOM 20 C LIG 1 -2.498 3.906 2.043 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -1.962 4.175 0.635 0.00 0.00 +0.003 C ATOM 22 C LIG 1 -0.976 3.113 0.141 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 -2.019 2.951 4.311 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -3.130 3.227 4.729 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -1.082 2.447 5.138 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -1.530 2.397 6.009 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 6.713 2.470 -0.849 0.00 0.00 +0.282 C ATOM 28 O LIG 1 5.627 1.570 -0.631 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 -2.448 -0.709 -0.824 0.00 0.00 +0.056 C ATOM 30 C LIG 1 -2.930 0.068 -2.055 0.00 0.00 +0.016 C BRANCH 29 31 ATOM 31 C LIG 1 -2.666 -2.229 -0.994 0.00 0.00 +0.049 C BRANCH 31 32 ATOM 32 C LIG 1 -4.105 -2.628 -0.966 0.00 0.00 -0.009 A ATOM 33 C LIG 1 -4.903 -3.025 -2.020 0.00 0.00 +0.111 A ATOM 34 N LIG 1 -6.132 -3.293 -1.493 0.00 0.00 -0.274 N ATOM 35 C LIG 1 -7.300 -3.755 -2.202 0.00 0.00 +0.172 C ATOM 36 N LIG 1 -6.198 -3.091 -0.165 0.00 0.00 -0.180 NA ATOM 37 C LIG 1 -4.962 -2.704 0.156 0.00 0.00 +0.138 A ENDBRANCH 31 32 ENDBRANCH 29 31 ENDBRANCH 10 29 TORSDOF 7