REMARK Name = BDB016982 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.970 0.465 -1.153 0.00 0.00 +0.107 A ATOM 2 N LIG 1 0.154 1.093 -2.075 0.00 0.00 -0.234 NA ATOM 3 C LIG 1 -1.012 0.496 -1.990 0.00 0.00 +0.200 A ATOM 4 N LIG 1 -0.999 -0.479 -1.038 0.00 0.00 -0.334 N ATOM 5 C LIG 1 0.260 -0.526 -0.502 0.00 0.00 +0.117 A ENDROOT BRANCH 1 8 ATOM 6 C LIG 1 4.572 0.374 -0.108 0.00 0.00 +0.062 A ATOM 7 C LIG 1 3.252 -0.043 -0.295 0.00 0.00 +0.045 A ATOM 8 C LIG 1 2.367 0.826 -0.921 0.00 0.00 +0.091 A ATOM 9 N LIG 1 2.748 2.056 -1.351 0.00 0.00 -0.253 NA ATOM 10 C LIG 1 4.029 2.431 -1.159 0.00 0.00 +0.112 A ATOM 11 C LIG 1 4.973 1.633 -0.546 0.00 0.00 +0.035 A BRANCH 6 13 ATOM 12 O LIG 1 6.746 -0.203 0.738 0.00 0.00 -0.245 OA ATOM 13 C LIG 1 5.579 -0.490 0.548 0.00 0.00 +0.337 C BRANCH 13 14 ATOM 14 O LIG 1 5.076 -1.673 0.940 0.00 0.00 -0.477 OA ATOM 15 H LIG 1 5.842 -2.131 1.347 0.00 0.00 +0.295 HD ENDBRANCH 13 14 ENDBRANCH 6 13 ENDBRANCH 1 8 BRANCH 4 16 ATOM 16 C LIG 1 -2.116 -1.318 -0.669 0.00 0.00 +0.154 C BRANCH 16 17 ATOM 17 C LIG 1 -2.839 -0.836 0.585 0.00 0.00 +0.138 C ATOM 18 O LIG 1 -3.855 -1.790 0.955 0.00 0.00 -0.375 OA ATOM 19 C LIG 1 -5.010 -1.070 1.416 0.00 0.00 +0.160 C ATOM 20 C LIG 1 -4.618 0.390 1.500 0.00 0.00 +0.031 C ATOM 21 C LIG 1 -3.561 0.494 0.429 0.00 0.00 +0.035 C ENDBRANCH 16 17 ENDBRANCH 4 16 TORSDOF 5