REMARK Name = BDB058502 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.189 -0.384 -0.694 0.00 0.00 -0.002 A ATOM 2 C LIG 1 0.128 1.001 -0.761 0.00 0.00 +0.028 A ATOM 3 S LIG 1 1.661 1.672 -1.145 0.00 0.00 -0.083 S ATOM 4 C LIG 1 2.424 0.139 -1.217 0.00 0.00 +0.075 A ATOM 5 C LIG 1 1.515 -0.869 -0.956 0.00 0.00 +0.029 A ENDROOT BRANCH 1 9 ATOM 6 C LIG 1 -3.204 -2.872 0.192 0.00 0.00 -0.042 A ATOM 7 C LIG 1 -2.044 -2.893 0.991 0.00 0.00 +0.005 A ATOM 8 C LIG 1 -0.940 -2.083 0.702 0.00 0.00 +0.009 A ATOM 9 C LIG 1 -0.967 -1.222 -0.396 0.00 0.00 -0.017 A ATOM 10 C LIG 1 -2.104 -1.194 -1.206 0.00 0.00 +0.009 A ATOM 11 C LIG 1 -3.207 -2.005 -0.913 0.00 0.00 +0.005 A BRANCH 6 13 ATOM 12 C LIG 1 -4.920 -3.416 1.955 0.00 0.00 +0.015 C ATOM 13 C LIG 1 -4.401 -3.772 0.545 0.00 0.00 -0.013 C ATOM 14 C LIG 1 -5.594 -3.636 -0.428 0.00 0.00 +0.015 C ATOM 15 C LIG 1 -3.963 -5.253 0.524 0.00 0.00 +0.015 C ENDBRANCH 6 13 ENDBRANCH 1 9 BRANCH 2 16 ATOM 16 C LIG 1 -0.998 1.917 -0.532 0.00 0.00 -0.011 A ATOM 17 C LIG 1 -1.422 2.805 -1.525 0.00 0.00 +0.009 A ATOM 18 C LIG 1 -2.509 3.663 -1.308 0.00 0.00 +0.005 A ATOM 19 C LIG 1 -3.210 3.660 -0.091 0.00 0.00 -0.042 A ATOM 20 C LIG 1 -2.772 2.761 0.899 0.00 0.00 +0.005 A ATOM 21 C LIG 1 -1.686 1.905 0.684 0.00 0.00 +0.009 A BRANCH 19 22 ATOM 22 C LIG 1 -4.409 4.585 0.181 0.00 0.00 -0.013 C ATOM 23 C LIG 1 -4.102 5.490 1.393 0.00 0.00 +0.015 C ATOM 24 C LIG 1 -4.764 5.512 -1.003 0.00 0.00 +0.015 C ATOM 25 C LIG 1 -5.661 3.734 0.485 0.00 0.00 +0.015 C ENDBRANCH 19 22 ENDBRANCH 2 16 BRANCH 4 26 ATOM 26 C LIG 1 3.848 0.077 -1.531 0.00 0.00 +0.251 C ATOM 27 N LIG 1 4.434 -1.165 -1.357 0.00 0.00 -0.311 N ATOM 28 H LIG 1 3.890 -1.921 -0.971 0.00 0.00 +0.149 HD ATOM 29 O LIG 1 4.511 1.040 -1.914 0.00 0.00 -0.270 OA BRANCH 27 30 ATOM 30 C LIG 1 5.848 -1.399 -1.578 0.00 0.00 +0.108 C BRANCH 30 31 ATOM 31 C LIG 1 6.639 -1.458 -0.261 0.00 0.00 +0.009 C ATOM 32 C LIG 1 6.622 -0.105 0.474 0.00 0.00 +0.020 C ATOM 33 C LIG 1 7.789 0.009 1.449 0.00 0.00 +0.081 C ATOM 34 N LIG 1 9.099 -0.094 0.805 0.00 0.00 -0.316 NA ATOM 35 H LIG 1 9.493 0.838 0.673 0.00 0.00 +0.122 HD ATOM 36 C LIG 1 9.081 -0.786 -0.483 0.00 0.00 +0.081 C ATOM 37 C LIG 1 8.082 -1.940 -0.505 0.00 0.00 +0.020 C ENDBRANCH 30 31 ENDBRANCH 27 30 ENDBRANCH 4 26 TORSDOF 7