REMARK Name = BDB007755 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.269 3.122 -2.580 0.00 0.00 +0.263 C ATOM 2 N LIG 1 -1.334 2.909 -1.721 0.00 0.00 -0.308 N ATOM 3 H LIG 1 -1.268 2.098 -1.108 0.00 0.00 +0.149 HD ATOM 4 O LIG 1 -0.385 3.741 -3.632 0.00 0.00 -0.269 OA ENDROOT BRANCH 1 9 ATOM 5 C LIG 1 2.441 1.454 -0.619 0.00 0.00 +0.123 A ATOM 6 N LIG 1 3.303 1.136 -1.598 0.00 0.00 -0.221 NA ATOM 7 C LIG 1 2.978 1.523 -2.840 0.00 0.00 +0.224 A ATOM 8 N LIG 1 1.866 2.167 -3.194 0.00 0.00 -0.231 NA ATOM 9 C LIG 1 1.028 2.472 -2.183 0.00 0.00 +0.130 A ATOM 10 C LIG 1 1.289 2.166 -0.862 0.00 0.00 +0.076 A BRANCH 5 11 ATOM 11 N LIG 1 2.729 1.069 0.711 0.00 0.00 -0.324 N ATOM 12 H LIG 1 1.877 0.693 1.135 0.00 0.00 +0.148 HD BRANCH 11 15 ATOM 13 N LIG 1 3.020 -1.536 1.942 0.00 0.00 -0.178 NA ATOM 14 C LIG 1 3.794 -0.369 2.452 0.00 0.00 +0.132 C ATOM 15 C LIG 1 3.846 0.188 1.000 0.00 0.00 +0.103 C ATOM 16 C LIG 1 3.577 -1.288 0.581 0.00 0.00 +0.132 C BRANCH 13 18 ATOM 17 C LIG 1 4.317 -3.732 2.809 0.00 0.00 +0.215 C ATOM 18 S LIG 1 2.703 -2.989 2.688 0.00 0.00 +0.029 S ATOM 19 O LIG 1 2.238 -2.697 4.027 0.00 0.00 -0.158 OA ATOM 20 O LIG 1 1.909 -3.780 1.772 0.00 0.00 -0.158 OA ENDBRANCH 13 18 ENDBRANCH 11 15 ENDBRANCH 5 11 ENDBRANCH 1 9 BRANCH 2 21 ATOM 21 C LIG 1 -2.694 3.149 -2.154 0.00 0.00 +0.137 C BRANCH 21 22 ATOM 22 C LIG 1 -3.300 2.006 -3.003 0.00 0.00 +0.145 C BRANCH 22 23 ATOM 23 O LIG 1 -4.699 1.875 -2.706 0.00 0.00 -0.389 OA ATOM 24 H LIG 1 -5.124 2.720 -2.933 0.00 0.00 +0.210 HD ENDBRANCH 22 23 BRANCH 22 25 ATOM 25 C LIG 1 -2.622 0.612 -2.853 0.00 0.00 +0.117 C BRANCH 25 26 ATOM 26 N LIG 1 -2.177 0.222 -1.490 0.00 0.00 -0.295 NA ATOM 27 C LIG 1 -3.329 0.061 -0.576 0.00 0.00 +0.120 C ATOM 28 C LIG 1 -2.917 -0.447 0.792 0.00 0.00 -0.030 A ATOM 29 C LIG 1 -1.721 -1.169 0.965 0.00 0.00 -0.042 A ATOM 30 C LIG 1 -1.378 -1.655 2.233 0.00 0.00 +0.004 A ATOM 31 C LIG 1 -2.224 -1.445 3.321 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -3.416 -0.743 3.151 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -0.783 -1.367 -0.196 0.00 0.00 +0.051 C ATOM 34 C LIG 1 -3.763 -0.250 1.893 0.00 0.00 +0.005 A ATOM 35 C LIG 1 -1.439 -1.057 -1.548 0.00 0.00 +0.089 C ENDBRANCH 25 26 ENDBRANCH 22 25 ENDBRANCH 21 22 ENDBRANCH 2 21 TORSDOF 9