REMARK Name = BDB055576 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 2.220 -0.800 0.292 0.00 0.00 -0.251 N ATOM 2 C LIG 1 2.005 -0.396 1.575 0.00 0.00 +0.141 C ATOM 3 S LIG 1 3.063 -0.323 2.848 0.00 0.00 -0.018 S ATOM 4 N LIG 1 0.693 -0.018 1.713 0.00 0.00 -0.305 N ATOM 5 H LIG 1 0.342 0.404 2.562 0.00 0.00 +0.149 HD ATOM 6 C LIG 1 -0.065 -0.088 0.473 0.00 0.00 +0.162 C ATOM 7 C LIG 1 1.071 -0.630 -0.452 0.00 0.00 +0.254 C ATOM 8 O LIG 1 0.977 -0.855 -1.655 0.00 0.00 -0.272 OA ENDROOT BRANCH 6 9 ATOM 9 C LIG 1 -1.205 -1.117 0.538 0.00 0.00 -0.011 A ATOM 10 C LIG 1 -2.043 -1.297 -0.580 0.00 0.00 +0.006 A ATOM 11 C LIG 1 -3.088 -2.223 -0.557 0.00 0.00 +0.000 A ATOM 12 C LIG 1 -3.313 -2.991 0.581 0.00 0.00 +0.000 A ATOM 13 C LIG 1 -2.492 -2.837 1.694 0.00 0.00 +0.000 A ATOM 14 C LIG 1 -1.446 -1.910 1.674 0.00 0.00 +0.006 A ENDBRANCH 6 9 BRANCH 6 15 ATOM 15 C LIG 1 -0.547 1.331 0.138 0.00 0.00 -0.011 A ATOM 16 C LIG 1 -0.006 2.094 -0.911 0.00 0.00 +0.006 A ATOM 17 C LIG 1 -0.462 3.391 -1.167 0.00 0.00 +0.000 A ATOM 18 C LIG 1 -1.464 3.952 -0.380 0.00 0.00 +0.000 A ATOM 19 C LIG 1 -2.013 3.218 0.667 0.00 0.00 +0.000 A ATOM 20 C LIG 1 -1.558 1.923 0.925 0.00 0.00 +0.006 A ENDBRANCH 6 15 BRANCH 1 22 ATOM 21 C LIG 1 4.258 -0.087 -0.896 0.00 0.00 +0.025 C ATOM 22 C LIG 1 3.471 -1.247 -0.306 0.00 0.00 +0.112 C ENDBRANCH 1 22 TORSDOF 3