REMARK Name = BDB057671 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.793 2.044 -0.373 0.00 0.00 -0.218 N ATOM 2 C LIG 1 1.030 1.521 0.641 0.00 0.00 +0.261 C ATOM 3 O LIG 1 1.336 1.493 1.825 0.00 0.00 -0.269 OA ATOM 4 C LIG 1 -0.236 0.968 0.090 0.00 0.00 +0.080 C ATOM 5 C LIG 1 -1.160 0.404 0.879 0.00 0.00 +0.028 C ATOM 6 S LIG 1 -0.258 1.145 -1.622 0.00 0.00 -0.026 S ATOM 7 C LIG 1 1.324 1.898 -1.648 0.00 0.00 +0.286 C ATOM 8 O LIG 1 1.893 2.222 -2.678 0.00 0.00 -0.262 OA ENDROOT BRANCH 5 9 ATOM 9 C LIG 1 -2.428 -0.187 0.441 0.00 0.00 -0.024 A ATOM 10 C LIG 1 -3.434 0.593 -0.138 0.00 0.00 +0.008 A ATOM 11 C LIG 1 -4.642 0.009 -0.531 0.00 0.00 +0.004 A ATOM 12 C LIG 1 -4.860 -1.361 -0.352 0.00 0.00 -0.050 A ATOM 13 C LIG 1 -6.168 -1.980 -0.745 0.00 0.00 +0.044 C ATOM 14 C LIG 1 -3.862 -2.135 0.251 0.00 0.00 +0.004 A ATOM 15 C LIG 1 -2.654 -1.552 0.644 0.00 0.00 +0.008 A ENDBRANCH 5 9 BRANCH 1 16 ATOM 16 C LIG 1 3.114 2.587 -0.119 0.00 0.00 +0.238 C BRANCH 16 17 ATOM 17 C LIG 1 4.214 1.533 -0.156 0.00 0.00 +0.325 C ATOM 18 O LIG 1 5.394 1.797 0.048 0.00 0.00 -0.249 OA BRANCH 17 19 ATOM 19 O LIG 1 3.735 0.290 -0.439 0.00 0.00 -0.464 OA BRANCH 19 21 ATOM 20 C LIG 1 4.924 -1.341 0.896 0.00 0.00 +0.048 C ATOM 21 C LIG 1 4.707 -0.765 -0.491 0.00 0.00 +0.229 C ENDBRANCH 19 21 ENDBRANCH 17 19 ENDBRANCH 16 17 ENDBRANCH 1 16 TORSDOF 5