REMARK Name = BDB057454 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.211 -1.868 0.768 0.00 0.00 -0.027 A ATOM 2 C LIG 1 1.420 -2.188 0.131 0.00 0.00 +0.013 A ATOM 3 C LIG 1 2.491 -1.270 0.057 0.00 0.00 -0.002 A ATOM 4 C LIG 1 3.781 -1.770 -0.585 0.00 0.00 +0.265 C ATOM 5 O LIG 1 4.782 -0.819 -0.973 0.00 0.00 -0.487 OA ATOM 6 C LIG 1 5.425 -0.300 0.121 0.00 0.00 +0.129 A ATOM 7 C LIG 1 4.778 0.650 0.920 0.00 0.00 +0.025 A ATOM 8 C LIG 1 3.400 1.032 0.550 0.00 0.00 -0.000 C ATOM 9 C LIG 1 3.191 2.243 -0.029 0.00 0.00 +0.004 C ATOM 10 C LIG 1 4.216 3.312 -0.289 0.00 0.00 +0.048 C ATOM 11 C LIG 1 5.444 1.185 2.027 0.00 0.00 +0.012 A ATOM 12 C LIG 1 6.757 0.793 2.301 0.00 0.00 +0.001 A ATOM 13 C LIG 1 7.406 -0.127 1.473 0.00 0.00 +0.004 A ATOM 14 C LIG 1 6.742 -0.672 0.374 0.00 0.00 +0.046 A ATOM 15 C LIG 1 2.329 0.003 0.635 0.00 0.00 -0.010 A ATOM 16 C LIG 1 1.152 0.288 1.348 0.00 0.00 +0.009 A ATOM 17 C LIG 1 0.105 -0.631 1.410 0.00 0.00 +0.006 A ENDROOT BRANCH 9 18 ATOM 18 C LIG 1 1.872 2.563 -0.617 0.00 0.00 +0.179 A ATOM 19 N LIG 1 1.104 3.454 0.008 0.00 0.00 -0.272 N ATOM 20 H LIG 1 1.272 3.949 0.865 0.00 0.00 +0.174 HD ATOM 21 C LIG 1 -0.035 3.532 -0.695 0.00 0.00 +0.440 A ATOM 22 O LIG 1 -1.006 4.213 -0.406 0.00 0.00 -0.221 OA ATOM 23 O LIG 1 0.068 2.710 -1.787 0.00 0.00 -0.295 OA ATOM 24 N LIG 1 1.350 2.084 -1.691 0.00 0.00 -0.055 NA ENDBRANCH 9 18 BRANCH 1 25 ATOM 25 C LIG 1 -0.925 -2.861 0.788 0.00 0.00 +0.158 C BRANCH 25 27 ATOM 26 C LIG 1 -2.542 -1.971 -0.960 0.00 0.00 +0.111 A ATOM 27 N LIG 1 -2.184 -2.275 0.342 0.00 0.00 -0.323 N ATOM 28 C LIG 1 -3.242 -1.947 1.166 0.00 0.00 +0.071 A ATOM 29 C LIG 1 -4.205 -1.447 0.298 0.00 0.00 +0.112 A ATOM 30 C LIG 1 -5.435 -0.990 0.808 0.00 0.00 +0.075 A ATOM 31 C LIG 1 -5.655 -1.036 2.187 0.00 0.00 +0.027 A ATOM 32 C LIG 1 -4.677 -1.550 3.041 0.00 0.00 +0.004 A ATOM 33 C LIG 1 -3.451 -2.019 2.550 0.00 0.00 +0.028 A ATOM 34 N LIG 1 -3.763 -1.472 -1.002 0.00 0.00 -0.230 NA BRANCH 30 35 ATOM 35 N LIG 1 -6.401 -0.425 -0.085 0.00 0.00 -0.219 N ATOM 36 H LIG 1 -6.289 -0.774 -1.041 0.00 0.00 +0.173 HD BRANCH 35 37 ATOM 37 S LIG 1 -6.541 1.258 -0.089 0.00 0.00 +0.040 S ATOM 38 O LIG 1 -7.530 1.575 -1.099 0.00 0.00 -0.155 OA ATOM 39 O LIG 1 -6.689 1.735 1.270 0.00 0.00 -0.155 OA ATOM 40 C LIG 1 -4.957 1.790 -0.712 0.00 0.00 +0.218 C ENDBRANCH 35 37 ENDBRANCH 30 35 BRANCH 26 41 ATOM 41 C LIG 1 -1.676 -2.191 -2.162 0.00 0.00 +0.074 C BRANCH 41 43 ATOM 42 C LIG 1 -1.888 0.111 -3.242 0.00 0.00 +0.004 C ATOM 43 C LIG 1 -0.956 -0.923 -2.625 0.00 0.00 +0.004 C ENDBRANCH 41 43 ENDBRANCH 26 41 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 7