REMARK Name = BDB062321 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.559 0.750 1.356 0.00 0.00 +0.060 C ATOM 2 C LIG 1 -4.903 0.204 0.082 0.00 0.00 +0.123 C ATOM 3 O LIG 1 -3.586 0.791 0.018 0.00 0.00 -0.482 OA ATOM 4 C LIG 1 -2.495 -0.029 0.009 0.00 0.00 +0.129 A ATOM 5 C LIG 1 -2.566 -1.422 0.038 0.00 0.00 +0.017 A ATOM 6 C LIG 1 -1.387 -2.172 0.017 0.00 0.00 +0.023 A ATOM 7 C LIG 1 -0.142 -1.531 -0.029 0.00 0.00 +0.021 A ATOM 8 C LIG 1 1.096 -2.355 -0.072 0.00 0.00 +0.164 C ATOM 9 O LIG 1 1.023 -3.581 -0.078 0.00 0.00 -0.292 OA ATOM 10 C LIG 1 2.425 -1.643 -0.178 0.00 0.00 +0.088 C ATOM 11 C LIG 1 2.381 -0.272 0.500 0.00 0.00 +0.031 C ATOM 12 C LIG 1 1.260 0.583 -0.110 0.00 0.00 +0.044 C ATOM 13 C LIG 1 -0.065 -0.130 -0.043 0.00 0.00 -0.033 A ATOM 14 C LIG 1 -3.862 -2.079 0.084 0.00 0.00 +0.011 C ATOM 15 C LIG 1 -1.254 0.612 -0.036 0.00 0.00 +0.050 A ATOM 16 C LIG 1 -4.952 -1.307 0.104 0.00 0.00 +0.020 C ATOM 17 C LIG 1 -5.662 0.715 -1.149 0.00 0.00 +0.060 C ENDROOT BRANCH 11 18 ATOM 18 C LIG 1 3.722 0.440 0.439 0.00 0.00 -0.043 A ATOM 19 C LIG 1 4.343 0.748 -0.783 0.00 0.00 +0.007 A ATOM 20 C LIG 1 5.575 1.407 -0.813 0.00 0.00 +0.045 A ATOM 21 C LIG 1 6.191 1.762 0.381 0.00 0.00 +0.117 A ATOM 22 C LIG 1 5.595 1.470 1.601 0.00 0.00 +0.045 A ATOM 23 C LIG 1 4.365 0.811 1.631 0.00 0.00 +0.007 A BRANCH 21 24 ATOM 24 O LIG 1 7.392 2.406 0.399 0.00 0.00 -0.507 OA ATOM 25 H LIG 1 7.690 2.530 -0.517 0.00 0.00 +0.292 HD ENDBRANCH 21 24 ENDBRANCH 11 18 TORSDOF 2