REMARK Name = BDB037149 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.350 -0.509 1.907 0.00 0.00 +0.263 C ATOM 2 N LIG 1 -1.323 0.450 2.200 0.00 0.00 -0.181 N ATOM 3 H LIG 1 -1.235 1.426 1.949 0.00 0.00 +0.177 HD ATOM 4 O LIG 1 -0.474 -1.697 2.162 0.00 0.00 -0.269 OA ENDROOT BRANCH 1 9 ATOM 5 C LIG 1 3.263 -0.328 0.826 0.00 0.00 +0.126 A ATOM 6 C LIG 1 3.291 0.866 0.084 0.00 0.00 +0.016 A ATOM 7 C LIG 1 2.104 1.602 -0.085 0.00 0.00 +0.010 A ATOM 8 C LIG 1 0.908 1.174 0.492 0.00 0.00 +0.013 A ATOM 9 C LIG 1 0.885 -0.001 1.250 0.00 0.00 +0.042 A ATOM 10 C LIG 1 2.063 -0.750 1.406 0.00 0.00 +0.059 A BRANCH 5 12 ATOM 11 C LIG 1 4.449 -2.251 1.601 0.00 0.00 +0.277 C ATOM 12 O LIG 1 4.453 -0.999 0.923 0.00 0.00 -0.495 OA ENDBRANCH 5 12 BRANCH 6 13 ATOM 13 C LIG 1 4.558 1.358 -0.578 0.00 0.00 +0.182 C BRANCH 13 14 ATOM 14 N LIG 1 4.588 1.004 -1.990 0.00 0.00 -0.267 N ATOM 15 N LIG 1 4.178 1.894 -2.922 0.00 0.00 -0.179 NA ATOM 16 C LIG 1 4.363 1.248 -4.076 0.00 0.00 +0.134 A ATOM 17 C LIG 1 4.898 -0.040 -3.893 0.00 0.00 +0.041 A ATOM 18 C LIG 1 5.039 -0.169 -2.532 0.00 0.00 +0.108 A ENDBRANCH 13 14 ENDBRANCH 6 13 ENDBRANCH 1 9 BRANCH 2 19 ATOM 19 S LIG 1 -2.829 0.103 2.816 0.00 0.00 +0.078 S ATOM 20 O LIG 1 -3.574 1.345 2.781 0.00 0.00 -0.150 OA ATOM 21 O LIG 1 -2.661 -0.611 4.063 0.00 0.00 -0.150 OA BRANCH 19 22 ATOM 22 C LIG 1 -3.549 -0.977 1.617 0.00 0.00 +0.150 A ATOM 23 C LIG 1 -3.634 -0.591 0.278 0.00 0.00 +0.147 A ATOM 24 C LIG 1 -4.197 -1.458 -0.661 0.00 0.00 +0.048 A ATOM 25 C LIG 1 -4.695 -2.697 -0.255 0.00 0.00 +0.004 A ATOM 26 C LIG 1 -4.619 -3.079 1.085 0.00 0.00 +0.002 A ATOM 27 C LIG 1 -4.043 -2.221 2.024 0.00 0.00 +0.032 A BRANCH 23 28 ATOM 28 O LIG 1 -3.105 0.601 -0.148 0.00 0.00 -0.487 OA BRANCH 28 29 ATOM 29 C LIG 1 -4.134 1.558 -0.482 0.00 0.00 +0.174 C ATOM 30 C LIG 1 -4.288 1.889 -1.941 0.00 0.00 +0.048 C ATOM 31 C LIG 1 -3.621 2.867 -1.020 0.00 0.00 +0.048 C ENDBRANCH 28 29 ENDBRANCH 23 28 ENDBRANCH 19 22 ENDBRANCH 2 19 TORSDOF 8