REMARK Name = BDB034262 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 4.460 -1.564 1.536 0.00 0.00 -0.282 N ATOM 2 C LIG 1 3.897 -2.385 0.570 0.00 0.00 +0.248 C ATOM 3 O LIG 1 4.284 -3.468 0.177 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 2.712 -1.686 0.059 0.00 0.00 +0.042 A ATOM 5 C LIG 1 2.651 -0.434 0.666 0.00 0.00 -0.015 A ATOM 6 C LIG 1 1.626 0.449 0.360 0.00 0.00 +0.051 A ATOM 7 C LIG 1 0.657 0.047 -0.565 0.00 0.00 +0.121 A ATOM 8 C LIG 1 0.742 -1.226 -1.170 0.00 0.00 +0.046 A ATOM 9 C LIG 1 1.779 -2.110 -0.863 0.00 0.00 +0.017 A ATOM 10 C LIG 1 3.809 -0.263 1.590 0.00 0.00 +0.144 C ENDROOT BRANCH 1 17 ATOM 11 O LIG 1 9.598 -3.300 2.512 0.00 0.00 -0.275 OA ATOM 12 C LIG 1 8.440 -2.919 2.367 0.00 0.00 +0.219 C ATOM 13 N LIG 1 8.100 -2.063 1.350 0.00 0.00 -0.255 N ATOM 14 H LIG 1 8.849 -1.800 0.724 0.00 0.00 +0.158 HD ATOM 15 C LIG 1 6.898 -1.423 1.150 0.00 0.00 +0.240 C ATOM 16 O LIG 1 6.798 -0.544 0.294 0.00 0.00 -0.273 OA ATOM 17 C LIG 1 5.773 -1.780 2.134 0.00 0.00 +0.163 C ATOM 18 C LIG 1 5.973 -3.190 2.691 0.00 0.00 +0.041 C ATOM 19 C LIG 1 7.345 -3.284 3.341 0.00 0.00 +0.098 C ENDBRANCH 1 17 BRANCH 7 20 ATOM 20 O LIG 1 -0.417 0.782 -0.984 0.00 0.00 -0.487 OA BRANCH 20 21 ATOM 21 C LIG 1 -0.657 2.082 -0.422 0.00 0.00 +0.190 C ATOM 22 C LIG 1 -2.180 2.414 -0.500 0.00 0.00 +0.097 C ATOM 23 C LIG 1 -2.431 3.837 0.062 0.00 0.00 +0.022 C ATOM 24 C LIG 1 -1.310 4.839 -0.209 0.00 0.00 +0.002 C ATOM 25 C LIG 1 -0.491 4.456 -1.426 0.00 0.00 +0.004 C ATOM 26 C LIG 1 0.176 3.098 -1.234 0.00 0.00 +0.046 C BRANCH 22 27 ATOM 27 N LIG 1 -3.020 1.470 0.278 0.00 0.00 -0.295 NA ATOM 28 C LIG 1 -4.470 1.670 -0.012 0.00 0.00 +0.094 C ATOM 29 C LIG 1 -4.631 0.125 0.025 0.00 0.00 +0.047 C ATOM 30 C LIG 1 -3.135 0.145 -0.398 0.00 0.00 +0.094 C BRANCH 29 31 ATOM 31 C LIG 1 -5.701 -0.563 -0.922 0.00 0.00 -0.042 A ATOM 32 C LIG 1 -7.000 -0.036 -1.082 0.00 0.00 +0.007 A ATOM 33 C LIG 1 -7.953 -0.640 -1.909 0.00 0.00 +0.045 A ATOM 34 C LIG 1 -7.622 -1.800 -2.594 0.00 0.00 +0.117 A ATOM 35 C LIG 1 -6.362 -2.360 -2.460 0.00 0.00 +0.045 A ATOM 36 C LIG 1 -5.417 -1.749 -1.631 0.00 0.00 +0.007 A BRANCH 34 37 ATOM 37 O LIG 1 -8.516 -2.426 -3.411 0.00 0.00 -0.507 OA ATOM 38 H LIG 1 -9.349 -1.927 -3.398 0.00 0.00 +0.292 HD ENDBRANCH 34 37 ENDBRANCH 29 31 ENDBRANCH 22 27 ENDBRANCH 20 21 ENDBRANCH 7 20 TORSDOF 6