REMARK Name = BDB001737 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.373 2.232 -1.084 0.00 0.00 +0.037 C ATOM 2 C LIG 1 -0.352 1.223 -0.152 0.00 0.00 +0.069 C ATOM 3 N LIG 1 0.170 -0.183 -0.361 0.00 0.00 -0.254 N ATOM 4 C LIG 1 1.399 -0.499 -0.975 0.00 0.00 +0.287 C ATOM 5 O LIG 1 1.445 -1.344 -1.875 0.00 0.00 -0.266 OA ATOM 6 C LIG 1 -0.674 -1.281 0.030 0.00 0.00 +0.045 A ATOM 7 C LIG 1 -2.062 -1.105 0.153 0.00 0.00 +0.006 A ATOM 8 C LIG 1 -2.829 -2.144 0.707 0.00 0.00 +0.010 A ATOM 9 C LIG 1 -2.252 -3.365 1.057 0.00 0.00 +0.001 A ATOM 10 C LIG 1 -0.892 -3.563 0.869 0.00 0.00 +0.002 A ATOM 11 C LIG 1 -2.662 0.149 -0.320 0.00 0.00 +0.017 A ATOM 12 C LIG 1 -4.091 0.359 -0.723 0.00 0.00 +0.071 A ATOM 13 S LIG 1 -5.186 -0.734 -1.365 0.00 0.00 -0.043 S ATOM 14 S LIG 1 -4.530 2.047 -0.489 0.00 0.00 -0.044 S ATOM 15 S LIG 1 -2.671 2.736 -0.913 0.00 0.00 -0.053 S ATOM 16 C LIG 1 -0.108 -2.526 0.366 0.00 0.00 +0.024 A ATOM 17 C LIG 1 -1.878 1.243 -0.432 0.00 0.00 +0.029 A ATOM 18 C LIG 1 -0.170 1.669 1.316 0.00 0.00 +0.037 C ENDROOT BRANCH 4 19 ATOM 19 C LIG 1 2.619 0.130 -0.507 0.00 0.00 +0.190 A ATOM 20 O LIG 1 2.693 0.668 0.747 0.00 0.00 -0.458 OA ATOM 21 C LIG 1 3.959 1.127 0.921 0.00 0.00 +0.196 A ATOM 22 C LIG 1 4.718 0.881 -0.198 0.00 0.00 +0.042 A ATOM 23 C LIG 1 3.861 0.225 -1.113 0.00 0.00 +0.054 A ENDBRANCH 4 19 TORSDOF 1