REMARK Name = BDB058613 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 4.123 0.799 -0.126 0.00 0.00 -0.220 N ATOM 2 N LIG 1 4.115 1.581 0.985 0.00 0.00 -0.173 NA ATOM 3 C LIG 1 2.855 1.993 1.113 0.00 0.00 +0.138 A ATOM 4 C LIG 1 2.008 1.494 0.106 0.00 0.00 -0.008 A ATOM 5 C LIG 1 2.849 0.733 -0.675 0.00 0.00 +0.120 A ENDROOT BRANCH 1 10 ATOM 6 O LIG 1 9.882 -0.989 -0.613 0.00 0.00 -0.267 OA ATOM 7 C LIG 1 8.931 -0.399 -0.116 0.00 0.00 +0.259 A ATOM 8 C LIG 1 7.576 -0.469 -0.695 0.00 0.00 +0.070 A ATOM 9 C LIG 1 6.544 0.239 -0.060 0.00 0.00 +0.122 A ATOM 10 C LIG 1 5.279 0.133 -0.659 0.00 0.00 +0.180 A ATOM 11 N LIG 1 5.056 -0.614 -1.794 0.00 0.00 -0.234 NA ATOM 12 C LIG 1 6.091 -1.269 -2.353 0.00 0.00 +0.114 A ATOM 13 N LIG 1 6.812 0.993 1.101 0.00 0.00 -0.233 NA ATOM 14 C LIG 1 8.009 1.025 1.569 0.00 0.00 +0.200 A ATOM 15 C LIG 1 7.367 -1.229 -1.845 0.00 0.00 +0.035 A ATOM 16 N LIG 1 9.060 0.366 1.011 0.00 0.00 -0.313 N ATOM 17 H LIG 1 9.982 0.423 1.417 0.00 0.00 +0.170 HD ENDBRANCH 1 10 BRANCH 4 18 ATOM 18 C LIG 1 0.548 1.735 -0.069 0.00 0.00 +0.053 C BRANCH 18 19 ATOM 19 C LIG 1 -0.306 0.689 0.672 0.00 0.00 +0.089 C BRANCH 19 20 ATOM 20 N LIG 1 -1.756 0.963 0.630 0.00 0.00 -0.302 NA ATOM 21 C LIG 1 -2.501 0.056 1.520 0.00 0.00 +0.087 C ATOM 22 C LIG 1 -3.169 -1.107 0.793 0.00 0.00 +0.055 C ATOM 23 C LIG 1 -4.160 -0.605 -0.267 0.00 0.00 +0.097 C ATOM 24 C LIG 1 -5.596 -0.661 0.165 0.00 0.00 -0.010 A ATOM 25 C LIG 1 -6.330 -1.390 -0.762 0.00 0.00 -0.016 A ATOM 26 C LIG 1 -7.694 -1.584 -0.616 0.00 0.00 +0.006 A ATOM 27 C LIG 1 -8.325 -1.033 0.500 0.00 0.00 +0.000 A ATOM 28 C LIG 1 -7.590 -0.296 1.440 0.00 0.00 +0.000 A ATOM 29 C LIG 1 -5.438 -1.845 -1.854 0.00 0.00 +0.196 C ATOM 30 C LIG 1 -6.216 -0.104 1.275 0.00 0.00 +0.007 A ATOM 31 O LIG 1 -4.106 -1.556 -1.376 0.00 0.00 -0.364 OA ATOM 32 C LIG 1 -3.789 0.786 -0.802 0.00 0.00 +0.055 C ATOM 33 C LIG 1 -2.275 0.979 -0.750 0.00 0.00 +0.087 C ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 4 18 TORSDOF 4