REMARK Name = BDB057674 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.535 -1.495 -0.128 0.00 0.00 -0.218 N ATOM 2 C LIG 1 0.659 -0.817 -0.937 0.00 0.00 +0.261 C ATOM 3 O LIG 1 0.938 -0.269 -1.994 0.00 0.00 -0.269 OA ATOM 4 C LIG 1 -0.705 -0.843 -0.342 0.00 0.00 +0.080 C ATOM 5 C LIG 1 -1.745 -0.243 -0.936 0.00 0.00 +0.028 C ATOM 6 S LIG 1 -0.679 -1.698 1.151 0.00 0.00 -0.026 S ATOM 7 C LIG 1 1.045 -1.998 1.044 0.00 0.00 +0.286 C ATOM 8 O LIG 1 1.676 -2.583 1.910 0.00 0.00 -0.262 OA ENDROOT BRANCH 5 9 ATOM 9 C LIG 1 -3.117 -0.202 -0.422 0.00 0.00 -0.022 A ATOM 10 C LIG 1 -3.654 1.018 0.005 0.00 0.00 +0.040 A ATOM 11 C LIG 1 -4.969 1.063 0.491 0.00 0.00 +0.127 A ATOM 12 C LIG 1 -5.752 -0.098 0.547 0.00 0.00 +0.033 A ATOM 13 C LIG 1 -5.215 -1.309 0.113 0.00 0.00 +0.003 A ATOM 14 C LIG 1 -3.905 -1.360 -0.372 0.00 0.00 +0.008 A BRANCH 11 15 ATOM 15 N LIG 1 -5.532 2.341 0.943 0.00 0.00 +0.056 N ATOM 16 O LIG 1 -4.820 3.350 0.848 0.00 0.00 -0.126 OA ATOM 17 O LIG 1 -6.688 2.336 1.390 0.00 0.00 -0.126 OA ENDBRANCH 11 15 ENDBRANCH 5 9 BRANCH 1 18 ATOM 18 C LIG 1 2.954 -1.539 -0.424 0.00 0.00 +0.238 C BRANCH 18 19 ATOM 19 C LIG 1 3.626 -0.316 0.179 0.00 0.00 +0.325 C ATOM 20 O LIG 1 3.056 0.555 0.825 0.00 0.00 -0.249 OA BRANCH 19 21 ATOM 21 O LIG 1 4.958 -0.339 -0.111 0.00 0.00 -0.464 OA BRANCH 21 23 ATOM 22 C LIG 1 5.686 1.925 -0.571 0.00 0.00 +0.048 C ATOM 23 C LIG 1 5.727 0.761 0.401 0.00 0.00 +0.229 C ENDBRANCH 21 23 ENDBRANCH 19 21 ENDBRANCH 18 19 ENDBRANCH 1 18 TORSDOF 6