REMARK Name = BDB017746 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.854 1.989 -0.246 0.00 0.00 -0.293 N ATOM 2 C LIG 1 0.151 0.798 -0.010 0.00 0.00 +0.058 A ATOM 3 C LIG 1 0.844 -0.247 -0.637 0.00 0.00 +0.004 A ATOM 4 C LIG 1 0.323 -1.559 -0.563 0.00 0.00 +0.012 A ATOM 5 C LIG 1 -0.863 -1.808 0.134 0.00 0.00 +0.029 A ATOM 6 C LIG 1 -1.531 -0.759 0.756 0.00 0.00 +0.107 A ATOM 7 C LIG 1 2.010 0.303 -1.242 0.00 0.00 -0.017 A ATOM 8 C LIG 1 -1.039 0.552 0.708 0.00 0.00 +0.055 A ATOM 9 C LIG 1 1.978 1.660 -0.988 0.00 0.00 +0.098 A ENDROOT BRANCH 1 13 ATOM 10 C LIG 1 0.426 7.047 0.813 0.00 0.00 +0.075 C ATOM 11 C LIG 1 0.263 5.579 0.665 0.00 0.00 +0.101 A ATOM 12 S LIG 1 1.446 4.637 -0.153 0.00 0.00 -0.033 S ATOM 13 C LIG 1 0.474 3.274 0.180 0.00 0.00 +0.201 A ATOM 14 N LIG 1 -0.632 3.536 0.841 0.00 0.00 -0.123 NA ATOM 15 N LIG 1 -0.756 4.882 1.122 0.00 0.00 -0.145 NA ENDBRANCH 1 13 BRANCH 6 16 ATOM 16 S LIG 1 -3.023 -1.082 1.668 0.00 0.00 +0.059 S ATOM 17 O LIG 1 -3.047 -0.206 2.819 0.00 0.00 -0.153 OA ATOM 18 O LIG 1 -3.168 -2.516 1.800 0.00 0.00 -0.153 OA BRANCH 16 19 ATOM 19 N LIG 1 -4.190 -0.486 0.583 0.00 0.00 -0.184 NA ATOM 20 H LIG 1 -4.371 0.491 0.825 0.00 0.00 +0.149 HD BRANCH 19 21 ATOM 21 C LIG 1 -5.454 -1.261 0.504 0.00 0.00 +0.037 C ATOM 22 C LIG 1 -5.518 -2.497 -0.358 0.00 0.00 +0.025 C ATOM 23 C LIG 1 -6.192 -1.240 -0.817 0.00 0.00 +0.025 C ATOM 24 C LIG 1 -6.292 -1.218 1.759 0.00 0.00 +0.029 C ENDBRANCH 19 21 ENDBRANCH 16 19 ENDBRANCH 6 16 BRANCH 7 25 ATOM 25 C LIG 1 3.071 -0.426 -2.014 0.00 0.00 +0.081 C BRANCH 25 26 ATOM 26 C LIG 1 4.130 -1.031 -1.140 0.00 0.00 +0.017 A ATOM 27 C LIG 1 4.457 -2.363 -0.933 0.00 0.00 +0.049 A ATOM 28 C LIG 1 3.812 -3.556 -1.541 0.00 0.00 +0.066 C ATOM 29 N LIG 1 5.511 -2.576 -0.059 0.00 0.00 -0.249 NA ATOM 30 C LIG 1 5.976 -1.430 0.384 0.00 0.00 +0.076 A ATOM 31 C LIG 1 7.097 -1.296 1.352 0.00 0.00 +0.073 C ATOM 32 S LIG 1 5.204 -0.033 -0.237 0.00 0.00 -0.077 S ENDBRANCH 25 26 ENDBRANCH 7 25 TORSDOF 6