REMARK Name = BDB009102 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.050 -0.011 1.836 0.00 0.00 +0.034 A ATOM 2 C LIG 1 1.156 -0.871 1.853 0.00 0.00 +0.027 A ATOM 3 C LIG 1 2.414 -0.435 2.305 0.00 0.00 -0.040 A ATOM 4 C LIG 1 2.550 0.881 2.758 0.00 0.00 +0.004 A ATOM 5 C LIG 1 1.456 1.744 2.739 0.00 0.00 +0.002 A ATOM 6 C LIG 1 0.212 1.301 2.280 0.00 0.00 +0.023 A ENDROOT BRANCH 1 9 ATOM 7 O LIG 1 -2.626 1.289 1.463 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 -2.382 0.108 1.258 0.00 0.00 +0.249 C ATOM 9 N LIG 1 -1.173 -0.547 1.381 0.00 0.00 -0.281 N ATOM 10 H LIG 1 -1.155 -1.521 1.107 0.00 0.00 +0.155 HD BRANCH 8 11 ATOM 11 C LIG 1 -3.480 -0.786 0.818 0.00 0.00 +0.041 A ATOM 12 C LIG 1 -4.135 -0.608 -0.415 0.00 0.00 -0.031 A ATOM 13 C LIG 1 -5.154 -1.519 -0.754 0.00 0.00 +0.005 A ATOM 14 C LIG 1 -5.512 -2.559 0.107 0.00 0.00 +0.000 A ATOM 15 C LIG 1 -4.862 -2.712 1.327 0.00 0.00 +0.001 A ATOM 16 C LIG 1 -3.847 -1.827 1.686 0.00 0.00 +0.013 A BRANCH 12 17 ATOM 17 C LIG 1 -3.774 0.492 -1.391 0.00 0.00 +0.071 C BRANCH 17 18 ATOM 18 C LIG 1 -4.886 1.489 -1.630 0.00 0.00 -0.043 A ATOM 19 C LIG 1 -5.192 2.456 -0.662 0.00 0.00 +0.004 A ATOM 20 C LIG 1 -6.236 3.360 -0.866 0.00 0.00 +0.000 A ATOM 21 C LIG 1 -6.982 3.311 -2.042 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -6.682 2.360 -3.017 0.00 0.00 +0.000 A ATOM 23 C LIG 1 -5.641 1.452 -2.812 0.00 0.00 +0.004 A ENDBRANCH 17 18 ENDBRANCH 12 17 ENDBRANCH 8 11 ENDBRANCH 1 9 BRANCH 3 24 ATOM 24 C LIG 1 3.589 -1.385 2.314 0.00 0.00 +0.092 C BRANCH 24 25 ATOM 25 C LIG 1 3.978 -1.848 0.912 0.00 0.00 +0.069 A ATOM 26 C LIG 1 4.845 -0.980 0.054 0.00 0.00 -0.016 A ATOM 27 C LIG 1 5.462 0.279 0.596 0.00 0.00 +0.037 C ATOM 28 C LIG 1 6.613 0.802 -0.270 0.00 0.00 +0.005 C ATOM 29 C LIG 1 6.234 0.786 -1.746 0.00 0.00 +0.005 C ATOM 30 C LIG 1 5.883 -0.631 -2.208 0.00 0.00 +0.041 C ATOM 31 C LIG 1 5.061 -1.397 -1.205 0.00 0.00 +0.023 A ATOM 32 C LIG 1 4.499 -2.691 -1.666 0.00 0.00 +0.268 A ATOM 33 O LIG 1 4.689 -3.110 -2.804 0.00 0.00 -0.266 OA ATOM 34 N LIG 1 3.782 -3.396 -0.738 0.00 0.00 -0.243 N ATOM 35 H LIG 1 3.398 -4.288 -1.028 0.00 0.00 +0.192 HD ATOM 36 N LIG 1 3.493 -2.990 0.527 0.00 0.00 -0.175 NA ENDBRANCH 24 25 ENDBRANCH 3 24 TORSDOF 6