REMARK Name = BDB058934 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.604 0.136 -0.655 0.00 0.00 +0.090 A ATOM 2 C LIG 1 2.486 0.793 -0.112 0.00 0.00 +0.058 A ATOM 3 C LIG 1 1.232 0.211 -0.330 0.00 0.00 +0.112 A ATOM 4 C LIG 1 1.145 -0.957 -1.069 0.00 0.00 +0.156 A ATOM 5 O LIG 1 -0.169 -1.312 -1.136 0.00 0.00 -0.435 OA ATOM 6 C LIG 1 -0.817 -0.330 -0.427 0.00 0.00 +0.228 A ATOM 7 C LIG 1 2.227 -1.623 -1.633 0.00 0.00 +0.050 A ATOM 8 N LIG 1 -0.018 0.597 0.076 0.00 0.00 -0.209 NA ATOM 9 C LIG 1 3.482 -1.042 -1.411 0.00 0.00 +0.030 A ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -2.270 -0.444 -0.323 0.00 0.00 +0.038 A ATOM 11 C LIG 1 -2.991 0.529 0.386 0.00 0.00 +0.021 A ATOM 12 C LIG 1 -4.390 0.460 0.512 0.00 0.00 -0.017 A ATOM 13 C LIG 1 -5.086 -0.613 -0.087 0.00 0.00 -0.018 A ATOM 14 C LIG 1 -6.483 -0.682 0.040 0.00 0.00 +0.008 A ATOM 15 C LIG 1 -7.184 0.295 0.748 0.00 0.00 +0.001 A ATOM 16 C LIG 1 -6.498 1.353 1.338 0.00 0.00 +0.001 A ATOM 17 C LIG 1 -4.366 -1.585 -0.795 0.00 0.00 +0.009 A ATOM 18 C LIG 1 -5.110 1.435 1.221 0.00 0.00 +0.008 A ATOM 19 C LIG 1 -2.975 -1.502 -0.912 0.00 0.00 +0.014 A ENDBRANCH 6 10 BRANCH 1 20 ATOM 20 S LIG 1 5.216 0.854 -0.406 0.00 0.00 -0.003 S ATOM 21 O LIG 1 5.033 2.291 -0.336 0.00 0.00 -0.169 OA ATOM 22 O LIG 1 6.105 0.261 -1.386 0.00 0.00 -0.169 OA BRANCH 20 24 ATOM 23 C LIG 1 7.048 0.756 1.617 0.00 0.00 +0.028 C ATOM 24 C LIG 1 5.677 0.255 1.210 0.00 0.00 +0.168 C ENDBRANCH 20 24 ENDBRANCH 1 20 TORSDOF 3