REMARK Name = BDB002029 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.062 2.497 -3.346 0.00 0.00 +0.218 C ATOM 2 N LIG 1 1.259 1.498 -2.836 0.00 0.00 -0.285 N ATOM 3 H LIG 1 1.524 0.539 -3.080 0.00 0.00 +0.155 HD ATOM 4 O LIG 1 1.950 3.703 -3.154 0.00 0.00 -0.275 OA ENDROOT BRANCH 2 5 ATOM 5 C LIG 1 0.140 1.630 -1.992 0.00 0.00 +0.034 A ATOM 6 C LIG 1 -0.565 0.463 -1.677 0.00 0.00 +0.033 A ATOM 7 C LIG 1 -1.718 0.490 -0.854 0.00 0.00 +0.005 A ATOM 8 C LIG 1 -2.142 1.718 -0.314 0.00 0.00 +0.073 A ATOM 9 N LIG 1 -3.214 1.836 0.486 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -3.951 0.751 0.802 0.00 0.00 +0.122 A ATOM 11 C LIG 1 -3.620 -0.494 0.274 0.00 0.00 +0.047 A ATOM 12 C LIG 1 -1.424 2.862 -0.627 0.00 0.00 +0.030 A ATOM 13 C LIG 1 -2.494 -0.646 -0.547 0.00 0.00 -0.038 A ATOM 14 C LIG 1 -2.165 -2.009 -1.086 0.00 0.00 +0.044 C ATOM 15 C LIG 1 -0.300 2.835 -1.462 0.00 0.00 +0.025 A BRANCH 10 16 ATOM 16 N LIG 1 -5.092 0.898 1.617 0.00 0.00 -0.313 N ATOM 17 C LIG 1 -5.317 2.304 2.029 0.00 0.00 +0.122 C ATOM 18 C LIG 1 -6.629 2.442 2.835 0.00 0.00 +0.103 C ATOM 19 N LIG 1 -6.694 1.526 3.999 0.00 0.00 -0.302 NA ATOM 20 C LIG 1 -7.978 1.657 4.681 0.00 0.00 +0.105 C ATOM 21 C LIG 1 -6.487 0.141 3.529 0.00 0.00 +0.103 C ATOM 22 C LIG 1 -5.154 -0.033 2.763 0.00 0.00 +0.122 C ENDBRANCH 10 16 ENDBRANCH 2 5 BRANCH 1 23 ATOM 23 C LIG 1 3.185 1.958 -4.218 0.00 0.00 +0.105 C BRANCH 23 24 ATOM 24 C LIG 1 4.342 1.445 -3.371 0.00 0.00 +0.105 C BRANCH 24 27 ATOM 25 N LIG 1 5.069 -0.312 -1.906 0.00 0.00 -0.283 N ATOM 26 H LIG 1 5.892 0.281 -1.831 0.00 0.00 +0.155 HD ATOM 27 C LIG 1 4.059 0.080 -2.759 0.00 0.00 +0.218 C ATOM 28 O LIG 1 3.034 -0.546 -3.025 0.00 0.00 -0.275 OA BRANCH 25 30 ATOM 29 C LIG 1 6.299 -1.612 -0.300 0.00 0.00 +0.141 A ATOM 30 C LIG 1 5.127 -1.451 -1.071 0.00 0.00 +0.076 A ATOM 31 C LIG 1 4.092 -2.385 -0.960 0.00 0.00 +0.030 A ATOM 32 C LIG 1 4.202 -3.474 -0.083 0.00 0.00 -0.048 A ATOM 33 C LIG 1 3.096 -4.481 0.033 0.00 0.00 +0.044 C ATOM 34 C LIG 1 5.372 -3.630 0.668 0.00 0.00 +0.007 A ATOM 35 C LIG 1 6.415 -2.705 0.562 0.00 0.00 +0.048 A BRANCH 29 37 ATOM 36 C LIG 1 8.405 -0.702 0.368 0.00 0.00 +0.277 C ATOM 37 O LIG 1 7.261 -0.641 -0.479 0.00 0.00 -0.493 OA ENDBRANCH 29 37 ENDBRANCH 25 30 ENDBRANCH 24 27 ENDBRANCH 23 24 ENDBRANCH 1 23 TORSDOF 7