REMARK Name = BDB061246 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.144 -0.093 -2.024 0.00 0.00 +0.051 A ATOM 2 C LIG 1 -2.550 0.053 -1.922 0.00 0.00 +0.151 A ATOM 3 C LIG 1 -3.354 0.264 -3.050 0.00 0.00 +0.106 A ATOM 4 C LIG 1 -4.815 0.416 -2.850 0.00 0.00 +0.197 A ATOM 5 C LIG 1 -5.299 0.387 -1.460 0.00 0.00 +0.098 A ATOM 6 C LIG 1 -4.432 0.167 -0.465 0.00 0.00 +0.139 A ATOM 7 O LIG 1 -5.632 0.562 -3.750 0.00 0.00 -0.287 OA ATOM 8 C LIG 1 -2.752 0.329 -4.309 0.00 0.00 +0.135 A ATOM 9 C LIG 1 -1.372 0.179 -4.433 0.00 0.00 +0.092 A ATOM 10 O LIG 1 -3.080 -0.029 -0.653 0.00 0.00 -0.454 OA ATOM 11 C LIG 1 -0.578 -0.034 -3.304 0.00 0.00 +0.128 A ENDROOT BRANCH 6 12 ATOM 12 C LIG 1 -4.849 0.139 0.951 0.00 0.00 +0.018 A ATOM 13 C LIG 1 -4.032 0.730 1.929 0.00 0.00 +0.015 A ATOM 14 C LIG 1 -4.398 0.704 3.276 0.00 0.00 +0.046 A ATOM 15 C LIG 1 -5.580 0.081 3.656 0.00 0.00 +0.117 A ATOM 16 C LIG 1 -6.403 -0.519 2.710 0.00 0.00 +0.046 A ATOM 17 C LIG 1 -6.035 -0.492 1.361 0.00 0.00 +0.015 A BRANCH 15 18 ATOM 18 O LIG 1 -5.898 0.078 4.981 0.00 0.00 -0.507 OA ATOM 19 H LIG 1 -6.751 -0.373 5.094 0.00 0.00 +0.292 HD ENDBRANCH 15 18 ENDBRANCH 6 12 BRANCH 8 20 ATOM 20 O LIG 1 -3.492 0.539 -5.437 0.00 0.00 -0.506 OA ATOM 21 H LIG 1 -2.917 0.560 -6.219 0.00 0.00 +0.292 HD ENDBRANCH 8 20 BRANCH 11 22 ATOM 22 O LIG 1 0.754 -0.166 -3.572 0.00 0.00 -0.506 OA ATOM 23 H LIG 1 1.251 -0.468 -2.797 0.00 0.00 +0.292 HD ENDBRANCH 11 22 BRANCH 1 24 ATOM 24 C LIG 1 -0.328 -0.282 -0.758 0.00 0.00 +0.127 C BRANCH 24 30 ATOM 25 O LIG 1 4.460 0.690 -0.827 0.00 0.00 -0.275 OA ATOM 26 C LIG 1 3.848 0.496 0.225 0.00 0.00 +0.219 C ATOM 27 N LIG 1 2.555 0.974 0.387 0.00 0.00 -0.299 N ATOM 28 C LIG 1 1.985 1.771 -0.704 0.00 0.00 +0.123 C ATOM 29 C LIG 1 0.476 2.035 -0.530 0.00 0.00 +0.103 C ATOM 30 N LIG 1 -0.271 0.923 0.093 0.00 0.00 -0.295 NA ATOM 31 C LIG 1 0.314 0.602 1.417 0.00 0.00 +0.103 C ATOM 32 C LIG 1 1.790 1.010 1.634 0.00 0.00 +0.123 C BRANCH 26 33 ATOM 33 C LIG 1 4.474 -0.312 1.373 0.00 0.00 +0.075 C ATOM 34 C LIG 1 5.989 -0.489 1.185 0.00 0.00 +0.013 C ATOM 35 C LIG 1 6.382 -1.489 0.095 0.00 0.00 +0.001 C ATOM 36 C LIG 1 5.373 -2.617 -0.101 0.00 0.00 +0.000 C ATOM 37 C LIG 1 4.580 -2.883 1.168 0.00 0.00 +0.001 C ATOM 38 C LIG 1 3.753 -1.661 1.569 0.00 0.00 +0.013 C ENDBRANCH 26 33 ENDBRANCH 24 30 ENDBRANCH 1 24 TORSDOF 7