REMARK Name = BDB061254 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.038 0.461 -1.719 0.00 0.00 +0.051 A ATOM 2 C LIG 1 -2.405 0.727 -1.504 0.00 0.00 +0.151 A ATOM 3 C LIG 1 -3.119 1.548 -2.383 0.00 0.00 +0.106 A ATOM 4 C LIG 1 -4.539 1.804 -2.109 0.00 0.00 +0.197 A ATOM 5 C LIG 1 -5.119 1.173 -0.917 0.00 0.00 +0.098 A ATOM 6 C LIG 1 -4.335 0.405 -0.148 0.00 0.00 +0.139 A ATOM 7 O LIG 1 -5.213 2.517 -2.844 0.00 0.00 -0.287 OA ATOM 8 C LIG 1 -2.488 2.103 -3.499 0.00 0.00 +0.135 A ATOM 9 C LIG 1 -1.146 1.839 -3.739 0.00 0.00 +0.092 A ATOM 10 O LIG 1 -3.001 0.145 -0.408 0.00 0.00 -0.454 OA ATOM 11 C LIG 1 -0.436 1.028 -2.857 0.00 0.00 +0.128 A ENDROOT BRANCH 6 12 ATOM 12 C LIG 1 -4.854 -0.267 1.058 0.00 0.00 +0.018 A ATOM 13 C LIG 1 -4.526 -1.608 1.308 0.00 0.00 +0.015 A ATOM 14 C LIG 1 -4.997 -2.256 2.453 0.00 0.00 +0.046 A ATOM 15 C LIG 1 -5.792 -1.564 3.357 0.00 0.00 +0.117 A ATOM 16 C LIG 1 -6.124 -0.232 3.138 0.00 0.00 +0.046 A ATOM 17 C LIG 1 -5.653 0.415 1.991 0.00 0.00 +0.015 A BRANCH 15 18 ATOM 18 O LIG 1 -6.227 -2.234 4.460 0.00 0.00 -0.507 OA ATOM 19 H LIG 1 -6.779 -1.637 4.992 0.00 0.00 +0.292 HD ENDBRANCH 15 18 ENDBRANCH 6 12 BRANCH 8 20 ATOM 20 O LIG 1 -3.131 2.910 -4.398 0.00 0.00 -0.506 OA ATOM 21 H LIG 1 -4.066 3.010 -4.112 0.00 0.00 +0.292 HD ENDBRANCH 8 20 BRANCH 11 22 ATOM 22 O LIG 1 0.884 0.818 -3.150 0.00 0.00 -0.506 OA ATOM 23 H LIG 1 1.300 0.434 -2.347 0.00 0.00 +0.292 HD ENDBRANCH 11 22 BRANCH 1 24 ATOM 24 C LIG 1 -0.287 -0.486 -0.801 0.00 0.00 +0.127 C BRANCH 24 30 ATOM 25 O LIG 1 5.439 1.906 0.670 0.00 0.00 -0.270 OA ATOM 26 C LIG 1 5.035 0.750 0.576 0.00 0.00 +0.247 C ATOM 27 N LIG 1 3.691 0.414 0.461 0.00 0.00 -0.295 N ATOM 28 C LIG 1 3.120 -0.886 0.816 0.00 0.00 +0.123 C ATOM 29 C LIG 1 1.903 -1.256 -0.065 0.00 0.00 +0.104 C ATOM 30 N LIG 1 1.127 -0.109 -0.596 0.00 0.00 -0.295 NA ATOM 31 C LIG 1 1.265 1.059 0.299 0.00 0.00 +0.104 C ATOM 32 C LIG 1 2.734 1.520 0.387 0.00 0.00 +0.123 C BRANCH 26 33 ATOM 33 C LIG 1 6.044 -0.327 0.568 0.00 0.00 +0.040 A ATOM 34 C LIG 1 6.960 -0.401 1.613 0.00 0.00 +0.033 A ATOM 35 C LIG 1 7.906 -1.406 1.560 0.00 0.00 +0.111 A ATOM 36 N LIG 1 7.990 -2.304 0.553 0.00 0.00 -0.263 NA ATOM 37 C LIG 1 7.108 -2.178 -0.464 0.00 0.00 +0.111 A ATOM 38 C LIG 1 6.123 -1.210 -0.507 0.00 0.00 +0.033 A ENDBRANCH 26 33 ENDBRANCH 24 30 ENDBRANCH 1 24 TORSDOF 7