REMARK Name = BDB006374 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.031 -3.361 1.255 0.00 0.00 +0.046 C ATOM 2 C LIG 1 1.393 -2.603 0.143 0.00 0.00 -0.022 A ATOM 3 C LIG 1 1.996 -1.573 -0.643 0.00 0.00 +0.004 A ATOM 4 C LIG 1 1.048 -1.135 -1.571 0.00 0.00 +0.050 A ATOM 5 C LIG 1 1.339 -0.127 -2.507 0.00 0.00 +0.027 A ATOM 6 C LIG 1 2.613 0.449 -2.490 0.00 0.00 +0.015 A ATOM 7 C LIG 1 3.571 0.043 -1.562 0.00 0.00 +0.037 A ATOM 8 N LIG 1 -0.106 -1.869 -1.349 0.00 0.00 -0.339 N ATOM 9 C LIG 1 3.278 -0.977 -0.645 0.00 0.00 +0.023 A ATOM 10 C LIG 1 0.095 -2.770 -0.319 0.00 0.00 +0.020 A ATOM 11 C LIG 1 -0.962 -3.707 0.160 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 4.904 0.706 -1.588 0.00 0.00 +0.244 C ATOM 13 N LIG 1 5.570 0.780 -0.385 0.00 0.00 -0.307 N ATOM 14 H LIG 1 5.080 0.564 0.472 0.00 0.00 +0.149 HD ATOM 15 O LIG 1 5.342 1.185 -2.628 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 6.830 1.476 -0.293 0.00 0.00 +0.147 C BRANCH 16 17 ATOM 17 C LIG 1 7.319 1.393 1.117 0.00 0.00 +0.007 A ATOM 18 S LIG 1 8.237 0.043 1.640 0.00 0.00 -0.100 S ATOM 19 C LIG 1 8.376 0.670 3.224 0.00 0.00 +0.045 A ATOM 20 C LIG 1 7.739 1.883 3.358 0.00 0.00 +0.008 A ATOM 21 C LIG 1 7.128 2.301 2.141 0.00 0.00 +0.013 A ENDBRANCH 16 17 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 22 ATOM 22 C LIG 1 -1.337 -1.738 -2.131 0.00 0.00 +0.157 C BRANCH 22 23 ATOM 23 C LIG 1 -2.433 -1.012 -1.387 0.00 0.00 -0.028 A ATOM 24 C LIG 1 -3.708 -1.586 -1.285 0.00 0.00 +0.006 A ATOM 25 C LIG 1 -4.740 -0.918 -0.618 0.00 0.00 +0.009 A ATOM 26 C LIG 1 -4.531 0.345 -0.047 0.00 0.00 -0.017 A ATOM 27 C LIG 1 -3.257 0.922 -0.161 0.00 0.00 +0.009 A ATOM 28 C LIG 1 -2.224 0.256 -0.827 0.00 0.00 +0.006 A BRANCH 26 29 ATOM 29 C LIG 1 -5.613 1.039 0.668 0.00 0.00 -0.004 A ATOM 30 C LIG 1 -6.202 2.236 0.212 0.00 0.00 +0.067 A ATOM 31 C LIG 1 -7.173 2.900 0.979 0.00 0.00 +0.015 A ATOM 32 C LIG 1 -7.595 2.362 2.193 0.00 0.00 +0.001 A ATOM 33 C LIG 1 -7.045 1.167 2.648 0.00 0.00 +0.001 A ATOM 34 C LIG 1 -6.062 0.516 1.896 0.00 0.00 +0.009 A BRANCH 30 35 ATOM 35 C LIG 1 -5.838 2.869 -1.071 0.00 0.00 +0.337 C ATOM 36 O LIG 1 -5.576 4.046 -1.233 0.00 0.00 -0.245 OA BRANCH 35 37 ATOM 37 O LIG 1 -5.925 2.008 -2.098 0.00 0.00 -0.477 OA ATOM 38 H LIG 1 -5.684 2.540 -2.883 0.00 0.00 +0.295 HD ENDBRANCH 35 37 ENDBRANCH 30 35 ENDBRANCH 26 29 ENDBRANCH 22 23 ENDBRANCH 8 22 TORSDOF 8