REMARK Name = BDB007773 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.542 0.834 -0.887 0.00 0.00 +0.246 C ATOM 2 N LIG 1 -1.545 1.390 -0.123 0.00 0.00 -0.309 N ATOM 3 H LIG 1 -1.387 1.556 0.865 0.00 0.00 +0.149 HD ATOM 4 O LIG 1 -0.492 0.940 -2.107 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 7 ATOM 5 C LIG 1 2.812 -0.735 -0.106 0.00 0.00 +0.046 A ATOM 6 C LIG 1 1.777 -0.064 -0.767 0.00 0.00 +0.039 A ATOM 7 C LIG 1 0.525 0.105 -0.163 0.00 0.00 +0.056 A ATOM 8 C LIG 1 0.329 -0.457 1.088 0.00 0.00 +0.123 A ATOM 9 N LIG 1 1.283 -1.139 1.761 0.00 0.00 -0.261 NA ATOM 10 C LIG 1 2.485 -1.268 1.143 0.00 0.00 +0.133 A BRANCH 5 11 ATOM 11 N LIG 1 4.021 -0.924 -0.774 0.00 0.00 -0.340 N ATOM 12 H LIG 1 4.187 -0.223 -1.494 0.00 0.00 +0.146 HD BRANCH 11 16 ATOM 13 N LIG 1 8.081 -0.504 -0.327 0.00 0.00 -0.181 NA ATOM 14 C LIG 1 6.979 0.432 0.048 0.00 0.00 +0.111 C ATOM 15 C LIG 1 5.855 -0.291 0.773 0.00 0.00 +0.039 C ATOM 16 C LIG 1 5.234 -1.393 -0.097 0.00 0.00 +0.073 C ATOM 17 C LIG 1 6.214 -1.898 -1.165 0.00 0.00 +0.039 C ATOM 18 C LIG 1 7.636 -1.894 -0.625 0.00 0.00 +0.111 C BRANCH 13 20 ATOM 19 C LIG 1 10.720 -1.137 -0.408 0.00 0.00 +0.215 C ATOM 20 S LIG 1 9.492 -0.361 0.622 0.00 0.00 +0.029 S ATOM 21 O LIG 1 9.299 -1.167 1.808 0.00 0.00 -0.158 OA ATOM 22 O LIG 1 9.823 1.044 0.716 0.00 0.00 -0.158 OA ENDBRANCH 13 20 ENDBRANCH 11 16 ENDBRANCH 5 11 ENDBRANCH 1 7 BRANCH 2 23 ATOM 23 C LIG 1 -2.538 2.270 -0.718 0.00 0.00 +0.137 C BRANCH 23 24 ATOM 24 C LIG 1 -3.766 2.433 0.185 0.00 0.00 +0.145 C BRANCH 24 25 ATOM 25 O LIG 1 -3.334 2.789 1.510 0.00 0.00 -0.389 OA ATOM 26 H LIG 1 -4.090 2.546 2.084 0.00 0.00 +0.210 HD ENDBRANCH 24 25 BRANCH 24 27 ATOM 27 C LIG 1 -4.614 1.144 0.261 0.00 0.00 +0.117 C BRANCH 27 28 ATOM 28 N LIG 1 -5.688 1.254 1.279 0.00 0.00 -0.295 NA ATOM 29 C LIG 1 -6.313 -0.065 1.526 0.00 0.00 +0.120 C ATOM 30 C LIG 1 -7.271 -0.529 0.448 0.00 0.00 -0.030 A ATOM 31 C LIG 1 -7.899 0.394 -0.407 0.00 0.00 -0.042 A ATOM 32 C LIG 1 -8.809 -0.059 -1.372 0.00 0.00 +0.004 A ATOM 33 C LIG 1 -9.111 -1.416 -1.473 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -8.504 -2.331 -0.615 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -7.550 1.859 -0.333 0.00 0.00 +0.051 C ATOM 36 C LIG 1 -7.592 -1.890 0.343 0.00 0.00 +0.005 A ATOM 37 C LIG 1 -6.751 2.215 0.930 0.00 0.00 +0.089 C ENDBRANCH 27 28 ENDBRANCH 24 27 ENDBRANCH 23 24 ENDBRANCH 2 23 TORSDOF 9