REMARK Name = BDB015410 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.703 -1.305 -2.224 0.00 0.00 -0.172 N ATOM 2 C LIG 1 0.086 -0.236 -1.755 0.00 0.00 +0.201 C ATOM 3 N LIG 1 0.123 0.791 -2.546 0.00 0.00 -0.253 NA ATOM 4 C LIG 1 -0.630 0.418 -3.764 0.00 0.00 +0.166 C ATOM 5 C LIG 1 -1.394 -0.861 -3.445 0.00 0.00 +0.158 C ENDROOT BRANCH 2 6 ATOM 6 N LIG 1 0.706 -0.330 -0.543 0.00 0.00 -0.300 N ATOM 7 C LIG 1 1.697 -1.408 -0.326 0.00 0.00 +0.123 C ATOM 8 C LIG 1 3.114 -0.839 -0.089 0.00 0.00 +0.103 C ATOM 9 N LIG 1 3.188 0.007 1.114 0.00 0.00 -0.296 NA ATOM 10 C LIG 1 1.914 0.702 1.392 0.00 0.00 +0.103 C ATOM 11 C LIG 1 1.044 0.937 0.143 0.00 0.00 +0.123 C BRANCH 9 12 ATOM 12 C LIG 1 4.333 0.913 1.250 0.00 0.00 +0.057 C ATOM 13 C LIG 1 4.465 1.959 0.120 0.00 0.00 +0.019 C ATOM 14 C LIG 1 5.993 1.734 0.220 0.00 0.00 +0.003 C ATOM 15 C LIG 1 5.676 0.320 0.767 0.00 0.00 +0.019 C ENDBRANCH 9 12 ENDBRANCH 2 6 BRANCH 1 16 ATOM 16 S LIG 1 -1.538 -2.438 -1.296 0.00 0.00 +0.077 S ATOM 17 O LIG 1 -0.634 -3.138 -0.407 0.00 0.00 -0.150 OA ATOM 18 O LIG 1 -2.390 -3.199 -2.191 0.00 0.00 -0.150 OA BRANCH 16 24 ATOM 19 C LIG 1 -6.160 1.436 2.268 0.00 0.00 +0.150 C ATOM 20 N LIG 1 -4.830 0.881 2.253 0.00 0.00 -0.333 N ATOM 21 C LIG 1 -4.287 0.105 1.259 0.00 0.00 +0.068 A ATOM 22 C LIG 1 -3.004 -0.180 1.721 0.00 0.00 +0.091 A ATOM 23 C LIG 1 -2.150 -0.976 0.948 0.00 0.00 +0.058 A ATOM 24 C LIG 1 -2.614 -1.429 -0.294 0.00 0.00 +0.111 A ATOM 25 C LIG 1 -3.915 -1.153 -0.734 0.00 0.00 +0.031 A ATOM 26 N LIG 1 -2.776 0.409 2.940 0.00 0.00 -0.236 NA ATOM 27 C LIG 1 -4.782 -0.371 0.038 0.00 0.00 +0.030 A ATOM 28 C LIG 1 -3.893 1.036 3.234 0.00 0.00 +0.200 A ENDBRANCH 16 24 ENDBRANCH 1 16 TORSDOF 4