REMARK Name = BDB059493 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.304 0.583 0.587 0.00 0.00 +0.247 C ATOM 2 N LIG 1 3.526 -0.471 0.116 0.00 0.00 -0.293 N ATOM 3 C LIG 1 2.131 -0.478 0.540 0.00 0.00 +0.143 C ATOM 4 C LIG 1 1.247 -1.488 -0.159 0.00 0.00 -0.026 A ATOM 5 C LIG 1 1.749 -2.348 -1.150 0.00 0.00 -0.041 A ATOM 6 C LIG 1 0.891 -3.247 -1.796 0.00 0.00 +0.005 A ATOM 7 C LIG 1 -0.456 -3.316 -1.438 0.00 0.00 +0.013 A ATOM 8 C LIG 1 -0.961 -2.486 -0.432 0.00 0.00 +0.037 A ATOM 9 C LIG 1 3.195 -2.255 -1.561 0.00 0.00 +0.054 C ATOM 10 C LIG 1 -0.113 -1.563 0.193 0.00 0.00 +0.018 A ATOM 11 C LIG 1 4.064 -1.719 -0.426 0.00 0.00 +0.113 C ATOM 12 O LIG 1 3.850 1.552 1.190 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 16 ATOM 13 C LIG 1 8.559 0.489 -0.097 0.00 0.00 +0.029 A ATOM 14 C LIG 1 7.965 -0.195 0.982 0.00 0.00 +0.024 A ATOM 15 C LIG 1 6.584 -0.165 1.218 0.00 0.00 +0.015 A ATOM 16 C LIG 1 5.757 0.544 0.353 0.00 0.00 +0.037 A ATOM 17 C LIG 1 6.297 1.234 -0.725 0.00 0.00 +0.015 A ATOM 18 C LIG 1 7.680 1.195 -0.945 0.00 0.00 +0.024 A BRANCH 13 20 ATOM 19 C LIG 1 10.539 1.563 -1.072 0.00 0.00 +0.129 C ATOM 20 N LIG 1 9.937 0.442 -0.347 0.00 0.00 -0.336 N ATOM 21 C LIG 1 10.816 -0.228 0.609 0.00 0.00 +0.129 C ENDBRANCH 13 20 ENDBRANCH 1 16 BRANCH 8 22 ATOM 22 C LIG 1 -2.405 -2.601 -0.084 0.00 0.00 +0.244 C ATOM 23 N LIG 1 -2.765 -2.226 1.195 0.00 0.00 -0.309 N ATOM 24 H LIG 1 -2.039 -2.106 1.889 0.00 0.00 +0.149 HD ATOM 25 O LIG 1 -3.207 -3.040 -0.900 0.00 0.00 -0.270 OA BRANCH 23 26 ATOM 26 C LIG 1 -4.120 -2.429 1.673 0.00 0.00 +0.137 C BRANCH 26 27 ATOM 27 C LIG 1 -5.168 -1.491 1.041 0.00 0.00 +0.145 C BRANCH 27 28 ATOM 28 O LIG 1 -6.468 -1.986 1.397 0.00 0.00 -0.389 OA ATOM 29 H LIG 1 -6.624 -2.770 0.840 0.00 0.00 +0.210 HD ENDBRANCH 27 28 BRANCH 27 30 ATOM 30 C LIG 1 -4.992 -0.042 1.562 0.00 0.00 +0.117 C BRANCH 30 31 ATOM 31 N LIG 1 -5.722 1.048 0.888 0.00 0.00 -0.295 NA ATOM 32 C LIG 1 -7.184 0.922 1.005 0.00 0.00 +0.120 C ATOM 33 C LIG 1 -7.927 2.054 0.321 0.00 0.00 -0.030 A ATOM 34 C LIG 1 -7.316 2.801 -0.703 0.00 0.00 -0.042 A ATOM 35 C LIG 1 -8.036 3.814 -1.349 0.00 0.00 +0.004 A ATOM 36 C LIG 1 -9.363 4.068 -1.000 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -9.977 3.317 -0.002 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -5.870 2.554 -1.054 0.00 0.00 +0.051 C ATOM 39 C LIG 1 -9.265 2.312 0.655 0.00 0.00 +0.005 A ATOM 40 C LIG 1 -5.348 1.211 -0.522 0.00 0.00 +0.089 C ENDBRANCH 30 31 ENDBRANCH 27 30 ENDBRANCH 26 27 ENDBRANCH 23 26 ENDBRANCH 8 22 TORSDOF 8