REMARK Name = BDB053560 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.117 -0.596 -0.756 0.00 0.00 +0.125 A ATOM 2 C LIG 1 -1.483 -0.552 0.493 0.00 0.00 -0.005 A ATOM 3 C LIG 1 -2.235 -0.207 1.619 0.00 0.00 +0.009 A ATOM 4 C LIG 1 -3.601 0.074 1.510 0.00 0.00 +0.024 A ATOM 5 C LIG 1 -4.265 0.018 0.277 0.00 0.00 +0.048 A ATOM 6 C LIG 1 -3.492 -0.328 -0.847 0.00 0.00 +0.070 A ENDROOT BRANCH 5 7 ATOM 7 N LIG 1 -5.667 0.298 0.166 0.00 0.00 -0.202 N ATOM 8 C LIG 1 -6.511 0.555 1.232 0.00 0.00 +0.258 C ATOM 9 O LIG 1 -6.323 0.602 2.434 0.00 0.00 -0.269 OA ATOM 10 C LIG 1 -7.843 0.787 0.684 0.00 0.00 +0.050 A ATOM 11 C LIG 1 -7.761 0.666 -0.683 0.00 0.00 +0.050 A ATOM 12 C LIG 1 -8.865 0.831 -1.500 0.00 0.00 +0.014 A ATOM 13 C LIG 1 -10.083 1.128 -0.880 0.00 0.00 +0.001 A ATOM 14 C LIG 1 -10.167 1.252 0.521 0.00 0.00 +0.001 A ATOM 15 C LIG 1 -9.034 1.080 1.322 0.00 0.00 +0.014 A ATOM 16 C LIG 1 -6.376 0.359 -1.020 0.00 0.00 +0.258 C ATOM 17 O LIG 1 -6.040 0.221 -2.183 0.00 0.00 -0.269 OA ENDBRANCH 5 7 BRANCH 1 18 ATOM 18 O LIG 1 -1.319 -0.942 -1.815 0.00 0.00 -0.492 OA BRANCH 18 20 ATOM 19 C LIG 1 -2.391 -1.871 -3.774 0.00 0.00 +0.048 C ATOM 20 C LIG 1 -1.761 -0.644 -3.139 0.00 0.00 +0.225 C ENDBRANCH 18 20 ENDBRANCH 1 18 BRANCH 2 21 ATOM 21 C LIG 1 -0.005 -0.838 0.646 0.00 0.00 +0.043 C BRANCH 21 22 ATOM 22 C LIG 1 0.851 0.376 0.272 0.00 0.00 +0.040 C BRANCH 22 23 ATOM 23 C LIG 1 2.323 0.091 0.439 0.00 0.00 -0.047 A ATOM 24 C LIG 1 3.037 -0.557 -0.576 0.00 0.00 +0.004 A ATOM 25 C LIG 1 4.396 -0.837 -0.419 0.00 0.00 +0.004 A ATOM 26 C LIG 1 5.065 -0.477 0.757 0.00 0.00 -0.047 A ATOM 27 C LIG 1 4.348 0.165 1.775 0.00 0.00 +0.004 A ATOM 28 C LIG 1 2.989 0.445 1.618 0.00 0.00 +0.004 A BRANCH 26 29 ATOM 29 C LIG 1 6.539 -0.770 0.923 0.00 0.00 +0.049 C BRANCH 29 30 ATOM 30 C LIG 1 7.423 0.481 0.800 0.00 0.00 +0.102 C BRANCH 30 31 ATOM 31 C LIG 1 7.330 1.099 -0.577 0.00 0.00 +0.308 C ATOM 32 O LIG 1 7.178 2.286 -0.817 0.00 0.00 -0.251 OA BRANCH 31 33 ATOM 33 O LIG 1 7.508 0.224 -1.585 0.00 0.00 -0.480 OA ATOM 34 H LIG 1 7.434 0.783 -2.388 0.00 0.00 +0.295 HD ENDBRANCH 31 33 ENDBRANCH 30 31 BRANCH 30 35 ATOM 35 C LIG 1 8.905 0.193 1.099 0.00 0.00 +0.011 C ATOM 36 C LIG 1 9.175 -0.117 2.564 0.00 0.00 +0.004 C ENDBRANCH 30 35 ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 2 21 TORSDOF 11