REMARK Name = BDB059966 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.223 0.110 -0.565 0.00 0.00 +0.220 C ATOM 2 N LIG 1 0.030 -0.243 0.052 0.00 0.00 -0.292 N ATOM 3 C LIG 1 -1.243 0.227 -0.549 0.00 0.00 +0.124 C ATOM 4 C LIG 1 -2.350 -0.823 -0.450 0.00 0.00 -0.022 A ATOM 5 C LIG 1 -2.228 -1.960 0.370 0.00 0.00 -0.037 A ATOM 6 C LIG 1 -3.275 -2.899 0.434 0.00 0.00 +0.049 A ATOM 7 C LIG 1 -4.445 -2.713 -0.301 0.00 0.00 +0.121 A ATOM 8 C LIG 1 -4.561 -1.591 -1.119 0.00 0.00 +0.046 A ATOM 9 C LIG 1 -0.949 -2.232 1.119 0.00 0.00 +0.054 C ATOM 10 C LIG 1 -3.526 -0.658 -1.200 0.00 0.00 +0.009 A ATOM 11 C LIG 1 -0.108 -0.975 1.311 0.00 0.00 +0.113 C ATOM 12 O LIG 1 1.221 0.777 -1.603 0.00 0.00 -0.275 OA ENDROOT BRANCH 1 14 ATOM 13 C LIG 1 3.687 -0.360 -0.998 0.00 0.00 +0.109 C ATOM 14 C LIG 1 2.553 -0.345 0.052 0.00 0.00 +0.089 C ATOM 15 C LIG 1 2.941 0.477 1.294 0.00 0.00 +0.013 C ATOM 16 C LIG 1 4.422 0.369 1.669 0.00 0.00 +0.001 C ATOM 17 C LIG 1 5.071 -0.886 1.106 0.00 0.00 +0.001 C ATOM 18 C LIG 1 4.993 -0.934 -0.422 0.00 0.00 +0.015 C BRANCH 13 20 ATOM 19 O LIG 1 3.953 2.089 -1.042 0.00 0.00 -0.251 OA ATOM 20 C LIG 1 3.964 1.007 -1.604 0.00 0.00 +0.309 C BRANCH 20 21 ATOM 21 O LIG 1 4.309 0.922 -2.906 0.00 0.00 -0.480 OA ATOM 22 H LIG 1 4.398 1.858 -3.181 0.00 0.00 +0.295 HD ENDBRANCH 20 21 ENDBRANCH 13 20 ENDBRANCH 1 14 BRANCH 3 23 ATOM 23 C LIG 1 -1.719 1.571 0.074 0.00 0.00 +0.144 C BRANCH 23 24 ATOM 24 N LIG 1 -0.798 2.665 -0.170 0.00 0.00 -0.232 N ATOM 25 C LIG 1 -0.718 3.328 -1.364 0.00 0.00 +0.254 C ATOM 26 O LIG 1 -1.429 3.215 -2.345 0.00 0.00 -0.270 OA ATOM 27 C LIG 1 0.407 4.254 -1.247 0.00 0.00 +0.049 A ATOM 28 C LIG 1 0.951 4.092 0.015 0.00 0.00 +0.049 A ATOM 29 C LIG 1 2.042 4.824 0.439 0.00 0.00 +0.014 A ATOM 30 C LIG 1 2.580 5.748 -0.463 0.00 0.00 +0.001 A ATOM 31 C LIG 1 2.023 5.915 -1.749 0.00 0.00 +0.001 A ATOM 32 C LIG 1 0.919 5.159 -2.155 0.00 0.00 +0.014 A ATOM 33 C LIG 1 0.174 3.062 0.704 0.00 0.00 +0.254 C ATOM 34 O LIG 1 0.389 2.671 1.836 0.00 0.00 -0.270 OA ENDBRANCH 23 24 ENDBRANCH 3 23 BRANCH 7 35 ATOM 35 O LIG 1 -5.528 -3.547 -0.318 0.00 0.00 -0.490 OA BRANCH 35 36 ATOM 36 C LIG 1 -5.464 -4.713 0.502 0.00 0.00 +0.256 C BRANCH 36 37 ATOM 37 C LIG 1 -6.766 -5.489 0.343 0.00 0.00 +0.196 C BRANCH 37 38 ATOM 38 O LIG 1 -6.743 -6.660 1.149 0.00 0.00 -0.392 OA ATOM 39 H LIG 1 -7.590 -7.116 1.007 0.00 0.00 +0.210 HD ENDBRANCH 37 38 ENDBRANCH 36 37 ENDBRANCH 35 36 ENDBRANCH 7 35 TORSDOF 9