REMARK Name = BDB025142 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.995 0.231 -0.431 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.857 0.847 0.122 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.079 2.229 0.588 0.00 0.00 +0.082 C ATOM 4 C LIG 1 5.233 3.190 -0.603 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.013 2.717 1.565 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.639 2.569 0.949 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.426 1.143 0.527 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.114 0.616 0.501 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.069 1.249 0.786 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -1.019 0.351 0.632 0.00 0.00 +0.111 A ATOM 11 N LIG 1 -0.483 -0.866 0.247 0.00 0.00 -0.324 N ATOM 12 C LIG 1 0.889 -0.714 0.174 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.942 -1.579 -0.115 0.00 0.00 +0.030 A ATOM 14 C LIG 1 3.239 -1.044 -0.107 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.513 0.309 0.155 0.00 0.00 +0.045 A ATOM 16 O LIG 1 7.136 0.661 -0.270 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.236 -2.080 -0.049 0.00 0.00 +0.093 C ATOM 18 C LIG 1 -0.961 -3.219 0.945 0.00 0.00 +0.053 C ATOM 19 C LIG 1 -1.237 -4.578 0.315 0.00 0.00 +0.162 C ATOM 20 O LIG 1 -2.327 -4.471 -0.595 0.00 0.00 -0.380 OA ATOM 21 C LIG 1 -1.993 -3.739 -1.775 0.00 0.00 +0.162 C ATOM 22 C LIG 1 -1.082 -2.544 -1.500 0.00 0.00 +0.053 C ENDBRANCH 11 17 BRANCH 1 24 ATOM 23 C LIG 1 6.901 -1.415 -1.841 0.00 0.00 +0.282 C ATOM 24 O LIG 1 5.744 -0.842 -1.232 0.00 0.00 -0.453 OA ENDBRANCH 1 24 BRANCH 10 25 ATOM 25 C LIG 1 -2.474 0.621 0.860 0.00 0.00 +0.079 C BRANCH 25 26 ATOM 26 C LIG 1 -3.209 0.919 -0.451 0.00 0.00 +0.043 C BRANCH 26 27 ATOM 27 C LIG 1 -4.713 0.922 -0.265 0.00 0.00 -0.033 A ATOM 28 C LIG 1 -5.433 1.996 0.299 0.00 0.00 +0.062 A ATOM 29 C LIG 1 -6.825 1.887 0.473 0.00 0.00 +0.015 A ATOM 30 C LIG 1 -7.503 0.726 0.101 0.00 0.00 +0.001 A ATOM 31 C LIG 1 -6.799 -0.338 -0.451 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -5.419 -0.243 -0.630 0.00 0.00 +0.004 A BRANCH 28 33 ATOM 33 C LIG 1 -4.769 3.266 0.702 0.00 0.00 +0.337 C ATOM 34 O LIG 1 -3.753 3.745 0.241 0.00 0.00 -0.245 OA BRANCH 33 35 ATOM 35 O LIG 1 -5.420 3.877 1.711 0.00 0.00 -0.477 OA ATOM 36 H LIG 1 -4.869 4.668 1.891 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 28 33 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 10 25 TORSDOF 7