REMARK Name = BDB007592 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.181 -1.875 -1.531 0.00 0.00 +0.244 C ATOM 2 N LIG 1 -0.712 -1.066 -0.549 0.00 0.00 -0.309 N ATOM 3 H LIG 1 -0.382 -1.179 0.403 0.00 0.00 +0.149 HD ATOM 4 O LIG 1 -0.739 -2.077 -2.605 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 7 ATOM 5 C LIG 1 3.217 -2.690 0.007 0.00 0.00 -0.033 A ATOM 6 C LIG 1 2.004 -2.034 -0.263 0.00 0.00 +0.018 A ATOM 7 C LIG 1 1.112 -2.545 -1.215 0.00 0.00 +0.037 A ATOM 8 C LIG 1 1.445 -3.711 -1.913 0.00 0.00 +0.013 A ATOM 9 C LIG 1 2.644 -4.373 -1.648 0.00 0.00 +0.001 A ATOM 10 C LIG 1 3.523 -3.868 -0.689 0.00 0.00 +0.005 A BRANCH 5 11 ATOM 11 C LIG 1 4.173 -2.139 1.049 0.00 0.00 +0.120 C BRANCH 11 16 ATOM 12 C LIG 1 7.258 2.581 0.074 0.00 0.00 +0.105 C ATOM 13 N LIG 1 6.761 1.238 0.363 0.00 0.00 -0.303 NA ATOM 14 C LIG 1 5.962 1.233 1.604 0.00 0.00 +0.105 C ATOM 15 C LIG 1 5.340 -0.163 1.943 0.00 0.00 +0.096 C ATOM 16 N LIG 1 4.569 -0.739 0.796 0.00 0.00 -0.291 NA ATOM 17 C LIG 1 5.397 -0.673 -0.435 0.00 0.00 +0.100 C ATOM 18 C LIG 1 5.929 0.739 -0.740 0.00 0.00 +0.099 C BRANCH 15 19 ATOM 19 C LIG 1 4.465 0.007 3.213 0.00 0.00 +0.176 C BRANCH 19 20 ATOM 20 O LIG 1 5.223 0.543 4.296 0.00 0.00 -0.393 OA ATOM 21 H LIG 1 4.612 0.642 5.047 0.00 0.00 +0.209 HD ENDBRANCH 19 20 ENDBRANCH 15 19 ENDBRANCH 11 16 ENDBRANCH 5 11 ENDBRANCH 1 7 BRANCH 2 22 ATOM 22 C LIG 1 -2.054 -0.523 -0.678 0.00 0.00 +0.137 C BRANCH 22 23 ATOM 23 C LIG 1 -2.295 0.581 0.354 0.00 0.00 +0.145 C BRANCH 23 24 ATOM 24 O LIG 1 -2.204 0.008 1.673 0.00 0.00 -0.389 OA ATOM 25 H LIG 1 -3.106 -0.335 1.847 0.00 0.00 +0.210 HD ENDBRANCH 23 24 BRANCH 23 26 ATOM 26 C LIG 1 -3.660 1.290 0.212 0.00 0.00 +0.117 C BRANCH 26 27 ATOM 27 N LIG 1 -4.777 0.402 0.613 0.00 0.00 -0.295 NA ATOM 28 C LIG 1 -5.472 -0.183 -0.556 0.00 0.00 +0.120 C ATOM 29 C LIG 1 -6.400 0.759 -1.294 0.00 0.00 -0.030 A ATOM 30 C LIG 1 -6.928 1.899 -0.663 0.00 0.00 -0.042 A ATOM 31 C LIG 1 -7.810 2.735 -1.361 0.00 0.00 +0.004 A ATOM 32 C LIG 1 -8.183 2.431 -2.669 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -7.675 1.293 -3.292 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -6.499 2.257 0.736 0.00 0.00 +0.051 C ATOM 35 C LIG 1 -6.792 0.459 -2.608 0.00 0.00 +0.005 A ATOM 36 C LIG 1 -5.775 1.104 1.446 0.00 0.00 +0.089 C ENDBRANCH 26 27 ENDBRANCH 23 26 ENDBRANCH 22 23 ENDBRANCH 2 22 TORSDOF 10