REMARK Name = BDB037257 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.780 0.809 -0.835 0.00 0.00 +0.274 C ATOM 2 N LIG 1 1.020 1.839 0.024 0.00 0.00 -0.219 N ATOM 3 H LIG 1 0.445 1.929 0.847 0.00 0.00 +0.166 HD ATOM 4 O LIG 1 1.491 0.453 -1.766 0.00 0.00 -0.268 OA ENDROOT BRANCH 1 9 ATOM 5 C LIG 1 -2.286 -0.187 0.894 0.00 0.00 +0.220 A ATOM 6 C LIG 1 -2.808 -1.227 0.125 0.00 0.00 +0.035 A ATOM 7 C LIG 1 -2.103 -1.598 -1.030 0.00 0.00 +0.013 A ATOM 8 C LIG 1 -0.924 -0.939 -1.363 0.00 0.00 +0.033 A ATOM 9 C LIG 1 -0.488 0.078 -0.527 0.00 0.00 +0.130 A ATOM 10 N LIG 1 -1.139 0.466 0.602 0.00 0.00 -0.208 NA BRANCH 5 12 ATOM 11 C LIG 1 -2.542 1.379 2.620 0.00 0.00 +0.279 C ATOM 12 O LIG 1 -2.956 0.141 2.053 0.00 0.00 -0.479 OA ENDBRANCH 5 12 BRANCH 6 13 ATOM 13 C LIG 1 -4.103 -1.903 0.486 0.00 0.00 +0.184 C BRANCH 13 14 ATOM 14 N LIG 1 -5.234 -1.279 -0.188 0.00 0.00 -0.267 N ATOM 15 N LIG 1 -5.930 -0.296 0.417 0.00 0.00 -0.179 NA ATOM 16 C LIG 1 -6.878 0.016 -0.469 0.00 0.00 +0.134 A ATOM 17 C LIG 1 -6.809 -0.776 -1.628 0.00 0.00 +0.041 A ATOM 18 C LIG 1 -5.741 -1.615 -1.414 0.00 0.00 +0.108 A ENDBRANCH 13 14 ENDBRANCH 6 13 ENDBRANCH 1 9 BRANCH 2 19 ATOM 19 S LIG 1 2.483 2.623 0.121 0.00 0.00 +0.157 S ATOM 20 O LIG 1 2.529 3.054 1.502 0.00 0.00 -0.223 OA ATOM 21 N LIG 1 2.431 3.612 -1.053 0.00 0.00 -0.232 NA ATOM 22 H LIG 1 3.168 4.309 -0.956 0.00 0.00 +0.199 HD BRANCH 19 23 ATOM 23 C LIG 1 3.821 1.501 -0.110 0.00 0.00 +0.107 A ATOM 24 C LIG 1 3.852 0.308 0.588 0.00 0.00 +0.142 A ATOM 25 O LIG 1 2.908 -0.130 1.483 0.00 0.00 -0.490 OA ATOM 26 C LIG 1 3.244 -1.521 1.693 0.00 0.00 +0.234 C ATOM 27 C LIG 1 4.717 -1.733 1.350 0.00 0.00 +0.080 C ATOM 28 C LIG 1 4.908 -0.582 0.439 0.00 0.00 -0.001 A ATOM 29 C LIG 1 5.964 -0.309 -0.414 0.00 0.00 +0.007 A ATOM 30 C LIG 1 5.936 0.885 -1.139 0.00 0.00 +0.002 A ATOM 31 C LIG 1 4.872 1.790 -0.990 0.00 0.00 +0.023 A ENDBRANCH 19 23 ENDBRANCH 2 19 TORSDOF 6