REMARK Name = BDB020556 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.770 0.831 -0.958 0.00 0.00 +0.094 A ATOM 2 C LIG 1 -1.594 1.839 -0.507 0.00 0.00 +0.064 A ATOM 3 C LIG 1 -1.435 3.291 -0.332 0.00 0.00 +0.163 C ATOM 4 N LIG 1 -2.284 3.758 0.755 0.00 0.00 -0.297 N ATOM 5 C LIG 1 -3.577 3.273 0.923 0.00 0.00 +0.235 C ATOM 6 C LIG 1 -3.920 1.920 0.326 0.00 0.00 +0.219 C ATOM 7 O LIG 1 -4.439 3.894 1.549 0.00 0.00 -0.274 OA ATOM 8 C LIG 1 -1.977 5.074 1.287 0.00 0.00 +0.132 C ATOM 9 N LIG 1 -2.773 1.216 -0.203 0.00 0.00 -0.320 N ATOM 10 C LIG 1 -2.647 -0.120 -0.488 0.00 0.00 +0.114 A ATOM 11 N LIG 1 -1.427 -0.374 -0.927 0.00 0.00 -0.232 NA ENDROOT BRANCH 1 16 ATOM 12 C LIG 1 3.897 -0.902 0.383 0.00 0.00 +0.080 A ATOM 13 N LIG 1 4.066 -0.080 -0.680 0.00 0.00 -0.246 NA ATOM 14 C LIG 1 2.992 0.505 -1.237 0.00 0.00 +0.072 A ATOM 15 C LIG 1 1.677 0.311 -0.764 0.00 0.00 +0.010 A ATOM 16 C LIG 1 0.600 0.983 -1.409 0.00 0.00 +0.011 A ATOM 17 C LIG 1 0.849 1.811 -2.513 0.00 0.00 +0.011 A ATOM 18 C LIG 1 2.148 1.989 -2.970 0.00 0.00 +0.003 A ATOM 19 C LIG 1 1.535 -0.547 0.346 0.00 0.00 +0.013 A ATOM 20 C LIG 1 3.200 1.338 -2.326 0.00 0.00 +0.028 A ATOM 21 C LIG 1 2.646 -1.159 0.921 0.00 0.00 +0.029 A BRANCH 12 25 ATOM 22 C LIG 1 8.883 -2.166 1.667 0.00 0.00 +0.073 C ATOM 23 C LIG 1 7.402 -2.104 1.531 0.00 0.00 +0.076 A ATOM 24 S LIG 1 6.682 -0.901 0.543 0.00 0.00 -0.071 S ATOM 25 C LIG 1 5.116 -1.512 0.925 0.00 0.00 +0.057 A ATOM 26 C LIG 1 5.271 -2.592 1.779 0.00 0.00 +0.128 A ATOM 27 N LIG 1 6.566 -2.925 2.127 0.00 0.00 -0.252 NA ENDBRANCH 12 25 ENDBRANCH 1 16 BRANCH 10 28 ATOM 28 C LIG 1 -3.735 -1.140 -0.321 0.00 0.00 +0.059 C ATOM 29 C LIG 1 -3.348 -2.179 0.732 0.00 0.00 +0.039 C ATOM 30 C LIG 1 -4.462 -3.210 0.908 0.00 0.00 +0.160 C ATOM 31 O LIG 1 -5.303 -3.329 -0.241 0.00 0.00 -0.380 OA ATOM 32 C LIG 1 -4.568 -3.248 -1.458 0.00 0.00 +0.160 C ATOM 33 C LIG 1 -4.055 -1.827 -1.659 0.00 0.00 +0.039 C ENDBRANCH 10 28 TORSDOF 3