REMARK Name = BDB056922 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.062 0.526 -4.338 0.00 0.00 +0.217 A ATOM 2 N LIG 1 -4.404 1.443 -3.422 0.00 0.00 -0.195 NA ATOM 3 C LIG 1 -3.488 1.590 -2.453 0.00 0.00 +0.164 A ATOM 4 C LIG 1 -2.288 0.918 -2.341 0.00 0.00 +0.065 A ATOM 5 C LIG 1 -1.680 1.422 -1.155 0.00 0.00 +0.105 A ATOM 6 N LIG 1 -2.440 2.384 -0.596 0.00 0.00 -0.168 NA ATOM 7 C LIG 1 -2.011 0.010 -3.353 0.00 0.00 +0.128 A ATOM 8 N LIG 1 -3.549 2.429 -1.377 0.00 0.00 -0.240 N ATOM 9 N LIG 1 -2.912 -0.174 -4.347 0.00 0.00 -0.222 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -0.406 1.042 -0.554 0.00 0.00 +0.021 A ATOM 11 C LIG 1 0.044 -0.268 -0.548 0.00 0.00 +0.123 A ATOM 12 N LIG 1 1.227 -0.673 -0.018 0.00 0.00 -0.240 NA ATOM 13 C LIG 1 2.031 0.248 0.557 0.00 0.00 +0.121 A ATOM 14 C LIG 1 1.629 1.583 0.624 0.00 0.00 +0.044 A ATOM 15 C LIG 1 0.412 1.982 0.065 0.00 0.00 +0.015 A BRANCH 13 16 ATOM 16 N LIG 1 3.233 -0.169 1.116 0.00 0.00 -0.312 N ATOM 17 C LIG 1 4.420 0.686 0.981 0.00 0.00 +0.125 C ATOM 18 C LIG 1 5.671 -0.104 0.540 0.00 0.00 +0.126 C ATOM 19 N LIG 1 5.949 -1.279 1.373 0.00 0.00 -0.298 N ATOM 20 C LIG 1 7.176 -1.866 1.643 0.00 0.00 +0.221 C ATOM 21 O LIG 1 7.218 -2.850 2.394 0.00 0.00 -0.275 OA ATOM 22 C LIG 1 4.754 -1.947 1.919 0.00 0.00 +0.126 C ATOM 23 C LIG 1 3.463 -1.621 1.148 0.00 0.00 +0.125 C BRANCH 20 24 ATOM 24 C LIG 1 8.503 -1.305 1.063 0.00 0.00 +0.039 C ATOM 25 C LIG 1 9.624 -2.335 1.368 0.00 0.00 +0.020 C ATOM 26 C LIG 1 8.900 -0.000 1.768 0.00 0.00 +0.020 C ATOM 27 C LIG 1 8.466 -1.146 -0.464 0.00 0.00 +0.020 C ENDBRANCH 20 24 ENDBRANCH 13 16 ENDBRANCH 5 10 BRANCH 1 29 ATOM 28 C LIG 1 -5.721 1.349 -5.847 0.00 0.00 +0.128 C ATOM 29 N LIG 1 -4.922 0.237 -5.389 0.00 0.00 -0.316 N ATOM 30 H LIG 1 -4.359 -0.223 -6.095 0.00 0.00 +0.149 HD ENDBRANCH 1 29 BRANCH 8 31 ATOM 31 C LIG 1 -4.638 3.335 -1.052 0.00 0.00 +0.204 C BRANCH 31 32 ATOM 32 C LIG 1 -5.657 2.668 -0.206 0.00 0.00 +0.104 A ATOM 33 N LIG 1 -6.994 2.788 -0.494 0.00 0.00 -0.133 NA ATOM 34 N LIG 1 -7.679 2.100 0.409 0.00 0.00 -0.065 NA ATOM 35 N LIG 1 -6.791 1.538 1.250 0.00 0.00 -0.247 N ATOM 36 C LIG 1 -5.516 1.901 0.932 0.00 0.00 +0.135 A BRANCH 35 37 ATOM 37 C LIG 1 -7.240 0.704 2.350 0.00 0.00 +0.180 C BRANCH 37 38 ATOM 38 C LIG 1 -6.758 -0.719 2.206 0.00 0.00 -0.026 A ATOM 39 C LIG 1 -7.223 -1.525 1.156 0.00 0.00 +0.005 A ATOM 40 C LIG 1 -6.771 -2.838 1.017 0.00 0.00 +0.000 A ATOM 41 C LIG 1 -5.854 -3.360 1.927 0.00 0.00 +0.000 A ATOM 42 C LIG 1 -5.387 -2.570 2.976 0.00 0.00 +0.000 A ATOM 43 C LIG 1 -5.837 -1.256 3.117 0.00 0.00 +0.005 A ENDBRANCH 37 38 ENDBRANCH 35 37 ENDBRANCH 31 32 ENDBRANCH 8 31 TORSDOF 8