REMARK Name = BDB056113 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.931 -0.886 0.946 0.00 0.00 +0.138 A ATOM 2 C LIG 1 -2.298 -1.230 0.974 0.00 0.00 +0.088 A ATOM 3 C LIG 1 -2.649 -2.326 1.744 0.00 0.00 +0.233 A ATOM 4 O LIG 1 -3.994 -2.517 1.704 0.00 0.00 -0.436 OA ATOM 5 C LIG 1 -4.535 -1.557 0.895 0.00 0.00 +0.146 A ATOM 6 N LIG 1 -1.836 -3.117 2.454 0.00 0.00 -0.200 NA ATOM 7 C LIG 1 -0.566 -2.726 2.344 0.00 0.00 +0.227 A ATOM 8 C LIG 1 -3.521 -0.741 0.412 0.00 0.00 +0.041 A ATOM 9 N LIG 1 -0.082 -1.682 1.646 0.00 0.00 -0.220 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -5.988 -1.639 0.744 0.00 0.00 +0.018 A ATOM 11 C LIG 1 -6.625 -1.255 -0.445 0.00 0.00 +0.011 A ATOM 12 C LIG 1 -8.016 -1.332 -0.571 0.00 0.00 +0.001 A ATOM 13 C LIG 1 -8.790 -1.799 0.489 0.00 0.00 +0.000 A ATOM 14 C LIG 1 -8.174 -2.192 1.674 0.00 0.00 +0.001 A ATOM 15 C LIG 1 -6.784 -2.114 1.798 0.00 0.00 +0.011 A ENDBRANCH 5 10 BRANCH 8 16 ATOM 16 C LIG 1 -3.725 0.391 -0.468 0.00 0.00 -0.014 A ATOM 17 C LIG 1 -3.275 0.335 -1.792 0.00 0.00 +0.008 A ATOM 18 C LIG 1 -3.438 1.437 -2.634 0.00 0.00 +0.001 A ATOM 19 C LIG 1 -4.050 2.594 -2.155 0.00 0.00 +0.000 A ATOM 20 C LIG 1 -4.501 2.654 -0.836 0.00 0.00 +0.001 A ATOM 21 C LIG 1 -4.338 1.555 0.009 0.00 0.00 +0.008 A ENDBRANCH 8 16 BRANCH 1 22 ATOM 22 N LIG 1 -0.471 0.233 0.236 0.00 0.00 -0.299 N ATOM 23 H LIG 1 -1.220 0.791 -0.153 0.00 0.00 +0.154 HD BRANCH 22 27 ATOM 24 C LIG 1 3.326 1.980 -0.505 0.00 0.00 +0.035 A ATOM 25 C LIG 1 3.235 0.820 0.262 0.00 0.00 +0.025 A ATOM 26 C LIG 1 1.988 0.227 0.517 0.00 0.00 +0.025 A ATOM 27 C LIG 1 0.804 0.784 0.033 0.00 0.00 +0.032 A ATOM 28 C LIG 1 0.907 1.967 -0.715 0.00 0.00 +0.025 A ATOM 29 C LIG 1 2.148 2.564 -0.971 0.00 0.00 +0.025 A BRANCH 24 32 ATOM 30 O LIG 1 6.704 3.123 -0.702 0.00 0.00 -0.252 OA ATOM 31 C LIG 1 5.841 2.248 -0.710 0.00 0.00 +0.308 C ATOM 32 N LIG 1 4.532 2.642 -0.797 0.00 0.00 -0.269 N ATOM 33 H LIG 1 4.463 3.622 -1.046 0.00 0.00 +0.156 HD ATOM 34 N LIG 1 6.067 0.899 -0.728 0.00 0.00 -0.269 N ATOM 35 H LIG 1 5.304 0.352 -1.099 0.00 0.00 +0.156 HD BRANCH 34 36 ATOM 36 C LIG 1 7.290 0.225 -0.550 0.00 0.00 +0.035 A ATOM 37 C LIG 1 7.312 -1.149 -0.819 0.00 0.00 +0.023 A ATOM 38 C LIG 1 8.485 -1.889 -0.653 0.00 0.00 +0.002 A ATOM 39 C LIG 1 9.647 -1.261 -0.210 0.00 0.00 +0.000 A ATOM 40 C LIG 1 9.632 0.103 0.068 0.00 0.00 +0.002 A ATOM 41 C LIG 1 8.457 0.844 -0.098 0.00 0.00 +0.023 A ENDBRANCH 34 36 ENDBRANCH 24 32 ENDBRANCH 22 27 ENDBRANCH 1 22 TORSDOF 6