REMARK Name = BDB058846 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.802 -0.994 1.488 0.00 0.00 +0.262 C ATOM 2 N LIG 1 0.084 -0.764 0.450 0.00 0.00 -0.228 N ATOM 3 H LIG 1 -0.062 0.025 -0.184 0.00 0.00 +0.171 HD ATOM 4 O LIG 1 -0.484 -1.672 2.465 0.00 0.00 -0.269 OA ENDROOT BRANCH 1 8 ATOM 5 C LIG 1 -3.822 1.002 0.273 0.00 0.00 -0.012 A ATOM 6 C LIG 1 -2.540 0.439 0.331 0.00 0.00 +0.139 A ATOM 7 F LIG 1 -1.679 0.710 -0.664 0.00 0.00 -0.204 F ATOM 8 C LIG 1 -2.154 -0.383 1.393 0.00 0.00 +0.073 A ATOM 9 C LIG 1 -3.076 -0.645 2.416 0.00 0.00 +0.016 A ATOM 10 C LIG 1 -4.359 -0.097 2.368 0.00 0.00 +0.001 A ATOM 11 C LIG 1 -4.732 0.720 1.301 0.00 0.00 +0.006 A BRANCH 5 13 ATOM 12 C LIG 1 -4.731 1.054 -2.064 0.00 0.00 +0.009 C ATOM 13 C LIG 1 -4.224 1.875 -0.887 0.00 0.00 +0.034 C ENDBRANCH 5 13 ENDBRANCH 1 8 BRANCH 2 14 ATOM 14 N LIG 1 1.557 -1.092 0.751 0.00 0.00 -0.108 NA ATOM 15 H LIG 1 1.618 -1.610 1.643 0.00 0.00 +0.172 HD BRANCH 14 16 ATOM 16 S LIG 1 2.557 0.293 0.873 0.00 0.00 +0.074 S ATOM 17 O LIG 1 2.887 0.457 2.272 0.00 0.00 -0.152 OA ATOM 18 O LIG 1 1.932 1.352 0.105 0.00 0.00 -0.152 OA BRANCH 16 19 ATOM 19 C LIG 1 4.001 -0.250 0.003 0.00 0.00 +0.107 A ATOM 20 C LIG 1 4.009 -0.220 -1.395 0.00 0.00 +0.028 A ATOM 21 C LIG 1 5.151 -0.628 -2.083 0.00 0.00 +0.002 A ATOM 22 C LIG 1 6.277 -1.054 -1.377 0.00 0.00 +0.000 A ATOM 23 C LIG 1 6.268 -1.072 0.019 0.00 0.00 +0.002 A ATOM 24 C LIG 1 5.130 -0.665 0.716 0.00 0.00 +0.028 A ENDBRANCH 16 19 ENDBRANCH 14 16 ENDBRANCH 2 14 TORSDOF 5