REMARK Name = BDB057392 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.048 0.076 0.640 0.00 0.00 +0.140 C ATOM 2 N LIG 1 4.628 -0.255 0.508 0.00 0.00 -0.252 N ATOM 3 C LIG 1 4.086 -1.299 1.249 0.00 0.00 +0.146 C ATOM 4 S LIG 1 4.893 -2.264 2.360 0.00 0.00 -0.018 S ATOM 5 N LIG 1 2.765 -1.582 1.041 0.00 0.00 -0.263 N ATOM 6 H LIG 1 2.411 -2.426 1.474 0.00 0.00 +0.157 HD ATOM 7 C LIG 1 1.934 -1.029 0.109 0.00 0.00 +0.255 C ATOM 8 O LIG 1 0.913 -1.615 -0.228 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 2.437 0.226 -0.481 0.00 0.00 +0.103 C ATOM 10 C LIG 1 1.685 1.141 -1.123 0.00 0.00 +0.064 C ATOM 11 C LIG 1 3.890 0.537 -0.376 0.00 0.00 +0.257 C ATOM 12 O LIG 1 4.385 1.455 -1.030 0.00 0.00 -0.269 OA ENDROOT BRANCH 10 13 ATOM 13 C LIG 1 0.267 1.124 -1.208 0.00 0.00 +0.131 A ATOM 14 O LIG 1 -0.561 0.702 -0.197 0.00 0.00 -0.442 OA ATOM 15 C LIG 1 -1.855 0.839 -0.590 0.00 0.00 +0.189 A ATOM 16 C LIG 1 -1.888 1.401 -1.845 0.00 0.00 +0.066 A ATOM 17 C LIG 1 -0.541 1.588 -2.237 0.00 0.00 +0.051 A BRANCH 15 18 ATOM 18 N LIG 1 -2.821 0.446 0.273 0.00 0.00 -0.297 N ATOM 19 C LIG 1 -4.232 0.476 -0.122 0.00 0.00 +0.136 C ATOM 20 C LIG 1 -5.122 0.188 1.097 0.00 0.00 +0.179 C ATOM 21 O LIG 1 -4.881 -1.092 1.701 0.00 0.00 -0.377 OA ATOM 22 C LIG 1 -3.534 -1.559 1.522 0.00 0.00 +0.179 C ATOM 23 C LIG 1 -2.492 -0.435 1.405 0.00 0.00 +0.136 C ENDBRANCH 15 18 ENDBRANCH 10 13 TORSDOF 2