REMARK Name = BDB056119 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.318 0.740 0.516 0.00 0.00 +0.133 A ATOM 2 C LIG 1 -1.056 0.495 0.390 0.00 0.00 +0.080 A ATOM 3 C LIG 1 -1.787 1.392 -0.373 0.00 0.00 +0.233 A ATOM 4 O LIG 1 -3.090 1.001 -0.427 0.00 0.00 -0.437 OA ATOM 5 C LIG 1 -3.209 -0.156 0.291 0.00 0.00 +0.138 A ATOM 6 N LIG 1 -1.333 2.491 -0.987 0.00 0.00 -0.200 NA ATOM 7 C LIG 1 -0.018 2.640 -0.789 0.00 0.00 +0.227 A ATOM 8 C LIG 1 -1.978 -0.498 0.819 0.00 0.00 +0.063 A ATOM 9 N LIG 1 0.815 1.842 -0.092 0.00 0.00 -0.220 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -4.540 -0.753 0.341 0.00 0.00 +0.018 A ATOM 11 C LIG 1 -4.840 -1.752 1.274 0.00 0.00 +0.015 A ATOM 12 C LIG 1 -6.115 -2.329 1.317 0.00 0.00 +0.046 A ATOM 13 C LIG 1 -7.114 -1.925 0.429 0.00 0.00 +0.121 A ATOM 14 C LIG 1 -6.826 -0.934 -0.506 0.00 0.00 +0.046 A ATOM 15 C LIG 1 -5.551 -0.352 -0.546 0.00 0.00 +0.015 A BRANCH 13 16 ATOM 16 O LIG 1 -8.306 -2.571 0.593 0.00 0.00 -0.491 OA BRANCH 16 17 ATOM 17 C LIG 1 -9.381 -2.265 -0.303 0.00 0.00 +0.244 C BRANCH 17 18 ATOM 18 C LIG 1 -10.174 -1.040 0.188 0.00 0.00 +0.125 C BRANCH 18 19 ATOM 19 N LIG 1 -11.366 -0.749 -0.632 0.00 0.00 -0.299 NA ATOM 20 C LIG 1 -12.196 0.293 -0.002 0.00 0.00 +0.084 C ATOM 21 C LIG 1 -11.612 1.627 -0.444 0.00 0.00 +0.017 C ATOM 22 C LIG 1 -10.825 1.316 -1.709 0.00 0.00 +0.017 C ATOM 23 C LIG 1 -11.030 -0.172 -1.945 0.00 0.00 +0.084 C ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 13 16 ENDBRANCH 5 10 BRANCH 1 24 ATOM 24 N LIG 1 1.150 -0.128 1.208 0.00 0.00 -0.328 N ATOM 25 H LIG 1 0.688 -0.627 1.959 0.00 0.00 +0.147 HD BRANCH 24 26 ATOM 26 C LIG 1 2.539 0.241 1.452 0.00 0.00 +0.107 C BRANCH 26 27 ATOM 27 C LIG 1 3.403 -0.011 0.207 0.00 0.00 +0.054 C BRANCH 27 31 ATOM 28 C LIG 1 7.731 -0.094 0.546 0.00 0.00 +0.035 A ATOM 29 C LIG 1 7.088 -0.266 -0.682 0.00 0.00 +0.023 A ATOM 30 C LIG 1 5.694 -0.222 -0.764 0.00 0.00 +0.005 A ATOM 31 C LIG 1 4.908 0.011 0.376 0.00 0.00 -0.046 A ATOM 32 C LIG 1 5.562 0.220 1.596 0.00 0.00 +0.005 A ATOM 33 C LIG 1 6.961 0.164 1.680 0.00 0.00 +0.023 A BRANCH 28 36 ATOM 34 O LIG 1 9.610 -0.507 2.799 0.00 0.00 -0.252 OA ATOM 35 C LIG 1 9.963 -0.335 1.635 0.00 0.00 +0.308 C ATOM 36 N LIG 1 9.135 -0.187 0.554 0.00 0.00 -0.269 N ATOM 37 H LIG 1 9.571 -0.409 -0.330 0.00 0.00 +0.156 HD ATOM 38 N LIG 1 11.301 -0.399 1.340 0.00 0.00 -0.269 N ATOM 39 H LIG 1 11.832 -0.840 2.079 0.00 0.00 +0.156 HD BRANCH 38 40 ATOM 40 C LIG 1 12.025 0.093 0.240 0.00 0.00 +0.035 A ATOM 41 C LIG 1 13.298 -0.442 0.013 0.00 0.00 +0.023 A ATOM 42 C LIG 1 14.080 0.015 -1.050 0.00 0.00 +0.002 A ATOM 43 C LIG 1 13.609 1.035 -1.874 0.00 0.00 +0.000 A ATOM 44 C LIG 1 12.358 1.597 -1.635 0.00 0.00 +0.002 A ATOM 45 C LIG 1 11.570 1.134 -0.576 0.00 0.00 +0.023 A ENDBRANCH 38 40 ENDBRANCH 28 36 ENDBRANCH 27 31 ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 11