REMARK Name = BDB036487 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.218 -0.656 -2.234 0.00 0.00 +0.142 A ATOM 2 C LIG 1 2.041 -0.359 -1.111 0.00 0.00 +0.078 A ATOM 3 C LIG 1 1.524 0.395 -0.047 0.00 0.00 +0.076 A ATOM 4 C LIG 1 0.202 0.818 -0.159 0.00 0.00 +0.171 A ATOM 5 C LIG 1 -0.622 0.549 -1.234 0.00 0.00 +0.068 A ATOM 6 C LIG 1 -1.849 1.174 -0.887 0.00 0.00 +0.188 A ATOM 7 N LIG 1 -1.768 1.774 0.304 0.00 0.00 -0.061 NA ATOM 8 O LIG 1 -0.483 1.546 0.761 0.00 0.00 -0.353 OA ATOM 9 C LIG 1 -0.113 -0.210 -2.304 0.00 0.00 +0.062 A ENDROOT BRANCH 1 11 ATOM 10 C LIG 1 1.122 -1.610 -4.426 0.00 0.00 +0.277 C ATOM 11 O LIG 1 1.828 -1.420 -3.206 0.00 0.00 -0.493 OA ENDBRANCH 1 11 BRANCH 2 12 ATOM 12 N LIG 1 3.386 -0.813 -1.141 0.00 0.00 -0.297 N ATOM 13 H LIG 1 3.478 -1.610 -1.774 0.00 0.00 +0.154 HD BRANCH 12 14 ATOM 14 C LIG 1 4.461 -0.409 -0.428 0.00 0.00 +0.119 A ATOM 15 N LIG 1 4.617 0.854 0.083 0.00 0.00 -0.264 N ATOM 16 H LIG 1 3.984 1.638 -0.009 0.00 0.00 +0.190 HD ATOM 17 N LIG 1 5.776 1.039 0.739 0.00 0.00 -0.177 NA ATOM 18 C LIG 1 6.393 -0.135 0.597 0.00 0.00 +0.068 A ATOM 19 C LIG 1 5.638 -1.063 -0.141 0.00 0.00 +0.068 A BRANCH 18 20 ATOM 20 C LIG 1 7.807 -0.418 1.166 0.00 0.00 +0.040 C ATOM 21 C LIG 1 8.106 -0.066 2.601 0.00 0.00 +0.010 C ATOM 22 C LIG 1 7.986 -1.506 2.195 0.00 0.00 +0.010 C ENDBRANCH 18 20 ENDBRANCH 12 14 ENDBRANCH 2 12 BRANCH 6 23 ATOM 23 N LIG 1 -2.989 1.147 -1.679 0.00 0.00 -0.196 N ATOM 24 H LIG 1 -3.041 0.507 -2.464 0.00 0.00 +0.175 HD BRANCH 23 25 ATOM 25 S LIG 1 -4.499 1.661 -1.165 0.00 0.00 +0.081 S ATOM 26 O LIG 1 -4.390 3.077 -0.884 0.00 0.00 -0.150 OA ATOM 27 O LIG 1 -5.432 1.186 -2.171 0.00 0.00 -0.150 OA BRANCH 25 28 ATOM 28 C LIG 1 -4.814 0.729 0.306 0.00 0.00 +0.191 A ATOM 29 C LIG 1 -5.251 1.345 1.482 0.00 0.00 +0.150 A ATOM 30 C LIG 1 -5.476 0.577 2.632 0.00 0.00 +0.048 A ATOM 31 C LIG 1 -5.238 -0.796 2.623 0.00 0.00 +0.007 A ATOM 32 C LIG 1 -4.810 -1.415 1.451 0.00 0.00 +0.048 A ATOM 33 C LIG 1 -4.628 -0.661 0.286 0.00 0.00 +0.150 A BRANCH 29 34 ATOM 34 O LIG 1 -5.586 2.669 1.521 0.00 0.00 -0.493 OA ATOM 35 C LIG 1 -4.632 3.426 2.270 0.00 0.00 +0.277 C ENDBRANCH 29 34 BRANCH 33 36 ATOM 36 O LIG 1 -4.212 -1.301 -0.855 0.00 0.00 -0.493 OA ATOM 37 C LIG 1 -5.258 -2.119 -1.389 0.00 0.00 +0.277 C ENDBRANCH 33 36 ENDBRANCH 25 28 ENDBRANCH 23 25 ENDBRANCH 6 23 TORSDOF 9