REMARK Name = BDB052154 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.580 0.033 -0.528 0.00 0.00 +0.122 A ATOM 2 C LIG 1 -0.664 0.227 0.089 0.00 0.00 +0.056 A ATOM 3 C LIG 1 -1.867 -0.072 -0.570 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.784 -0.561 -1.879 0.00 0.00 +0.050 A ATOM 5 N LIG 1 -2.951 -0.846 -2.586 0.00 0.00 -0.322 N ATOM 6 H LIG 1 -2.906 -1.202 -3.531 0.00 0.00 +0.169 HD ATOM 7 C LIG 1 -4.204 -0.660 -2.086 0.00 0.00 +0.253 A ATOM 8 C LIG 1 -4.319 -0.126 -0.691 0.00 0.00 +0.030 A ATOM 9 C LIG 1 -5.749 0.079 -0.269 0.00 0.00 +0.110 C ATOM 10 S LIG 1 -5.944 1.138 1.192 0.00 0.00 -0.156 S ATOM 11 C LIG 1 -4.622 0.410 2.183 0.00 0.00 +0.074 C ATOM 12 C LIG 1 -3.273 0.575 1.488 0.00 0.00 +0.047 C ATOM 13 O LIG 1 -5.195 -0.934 -2.757 0.00 0.00 -0.268 OA ATOM 14 C LIG 1 -0.551 -0.769 -2.502 0.00 0.00 +0.030 A ATOM 15 C LIG 1 -3.209 0.116 0.045 0.00 0.00 -0.028 A ATOM 16 C LIG 1 0.632 -0.475 -1.823 0.00 0.00 +0.048 A ENDROOT BRANCH 1 17 ATOM 17 O LIG 1 1.653 0.364 0.253 0.00 0.00 -0.487 OA BRANCH 17 21 ATOM 18 C LIG 1 5.907 0.841 1.817 0.00 0.00 +0.105 C ATOM 19 N LIG 1 5.106 0.430 0.673 0.00 0.00 -0.302 NA ATOM 20 C LIG 1 3.884 1.231 0.531 0.00 0.00 +0.128 C ATOM 21 C LIG 1 2.954 0.373 -0.344 0.00 0.00 +0.189 C ATOM 22 C LIG 1 3.585 -1.023 -0.310 0.00 0.00 +0.061 C ATOM 23 C LIG 1 4.630 -0.947 0.792 0.00 0.00 +0.088 C ENDBRANCH 17 21 ENDBRANCH 1 17 TORSDOF 2