REMARK Name = BDB061010 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.544 -0.191 0.807 0.00 0.00 +0.035 A ATOM 2 C LIG 1 -1.921 -0.445 0.488 0.00 0.00 +0.005 A ATOM 3 C LIG 1 -2.930 -0.341 1.493 0.00 0.00 +0.010 A ATOM 4 C LIG 1 -4.282 -0.624 1.134 0.00 0.00 +0.113 A ATOM 5 C LIG 1 -4.628 -1.021 -0.165 0.00 0.00 +0.029 A ATOM 6 C LIG 1 -3.653 -1.097 -1.144 0.00 0.00 +0.003 A ATOM 7 C LIG 1 -2.519 0.032 2.793 0.00 0.00 +0.010 A ATOM 8 C LIG 1 -1.195 0.340 3.087 0.00 0.00 +0.002 A ATOM 9 C LIG 1 -2.330 -0.801 -0.821 0.00 0.00 +0.010 A ATOM 10 C LIG 1 -0.226 0.248 2.099 0.00 0.00 +0.023 A ENDROOT BRANCH 4 11 ATOM 11 S LIG 1 -5.602 -0.465 2.324 0.00 0.00 +0.059 S ATOM 12 O LIG 1 -5.690 -1.725 3.027 0.00 0.00 -0.153 OA ATOM 13 O LIG 1 -5.473 0.797 3.019 0.00 0.00 -0.153 OA BRANCH 11 14 ATOM 14 N LIG 1 -7.000 -0.357 1.402 0.00 0.00 -0.186 NA ATOM 15 H LIG 1 -7.728 -1.000 1.708 0.00 0.00 +0.148 HD BRANCH 14 16 ATOM 16 C LIG 1 -7.412 0.970 0.950 0.00 0.00 +0.141 C BRANCH 16 17 ATOM 17 C LIG 1 -8.453 0.860 -0.136 0.00 0.00 -0.032 A ATOM 18 C LIG 1 -9.815 0.776 0.190 0.00 0.00 +0.005 A ATOM 19 C LIG 1 -10.775 0.646 -0.815 0.00 0.00 +0.000 A ATOM 20 C LIG 1 -10.384 0.591 -2.152 0.00 0.00 +0.000 A ATOM 21 C LIG 1 -9.034 0.663 -2.486 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -8.071 0.793 -1.484 0.00 0.00 +0.005 A ENDBRANCH 16 17 ENDBRANCH 14 16 ENDBRANCH 11 14 ENDBRANCH 4 11 BRANCH 1 23 ATOM 23 N LIG 1 0.437 -0.291 -0.199 0.00 0.00 -0.340 N ATOM 24 H LIG 1 0.240 -1.079 -0.812 0.00 0.00 +0.146 HD BRANCH 23 30 ATOM 25 O LIG 1 6.558 -2.007 0.286 0.00 0.00 -0.226 OA ATOM 26 C LIG 1 5.979 -1.250 -0.485 0.00 0.00 +0.403 C ATOM 27 N LIG 1 4.633 -0.911 -0.368 0.00 0.00 -0.267 N ATOM 28 C LIG 1 4.080 0.229 -1.094 0.00 0.00 +0.113 C ATOM 29 C LIG 1 2.573 0.116 -1.281 0.00 0.00 +0.041 C ATOM 30 C LIG 1 1.873 -0.148 0.057 0.00 0.00 +0.073 C ATOM 31 C LIG 1 2.447 -1.423 0.680 0.00 0.00 +0.041 C ATOM 32 C LIG 1 3.954 -1.300 0.862 0.00 0.00 +0.113 C BRANCH 26 33 ATOM 33 O LIG 1 6.575 -0.646 -1.546 0.00 0.00 -0.445 OA BRANCH 33 34 ATOM 34 C LIG 1 7.974 -0.900 -1.710 0.00 0.00 +0.269 C BRANCH 34 35 ATOM 35 C LIG 1 8.760 0.244 -1.125 0.00 0.00 -0.010 A ATOM 36 C LIG 1 8.969 1.417 -1.864 0.00 0.00 +0.007 A ATOM 37 C LIG 1 9.681 2.483 -1.312 0.00 0.00 +0.000 A ATOM 38 C LIG 1 10.182 2.391 -0.015 0.00 0.00 +0.000 A ATOM 39 C LIG 1 9.969 1.234 0.733 0.00 0.00 +0.000 A ATOM 40 C LIG 1 9.258 0.167 0.183 0.00 0.00 +0.007 A ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 26 33 ENDBRANCH 23 30 ENDBRANCH 1 23 TORSDOF 9