REMARK Name = BDB056110 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -2.653 -0.077 1.269 0.00 0.00 -0.328 N ATOM 2 H LIG 1 -3.227 -0.775 0.811 0.00 0.00 +0.147 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 -3.104 1.230 1.139 0.00 0.00 +0.134 A ATOM 4 C LIG 1 -4.403 1.547 0.707 0.00 0.00 +0.088 A ATOM 5 C LIG 1 -4.738 2.892 0.689 0.00 0.00 +0.233 A ATOM 6 O LIG 1 -6.026 3.049 0.287 0.00 0.00 -0.436 OA ATOM 7 C LIG 1 -6.543 1.810 0.024 0.00 0.00 +0.146 A ATOM 8 N LIG 1 -3.957 3.929 1.015 0.00 0.00 -0.200 NA ATOM 9 C LIG 1 -2.742 3.521 1.388 0.00 0.00 +0.227 A ATOM 10 C LIG 1 -5.567 0.849 0.256 0.00 0.00 +0.041 A ATOM 11 N LIG 1 -2.282 2.258 1.463 0.00 0.00 -0.220 NA BRANCH 7 12 ATOM 12 C LIG 1 -7.936 1.817 -0.428 0.00 0.00 +0.018 A ATOM 13 C LIG 1 -8.430 0.846 -1.309 0.00 0.00 +0.011 A ATOM 14 C LIG 1 -9.765 0.865 -1.724 0.00 0.00 +0.001 A ATOM 15 C LIG 1 -10.626 1.859 -1.266 0.00 0.00 +0.000 A ATOM 16 C LIG 1 -10.152 2.836 -0.396 0.00 0.00 +0.001 A ATOM 17 C LIG 1 -8.818 2.815 0.018 0.00 0.00 +0.011 A ENDBRANCH 7 12 BRANCH 10 18 ATOM 18 C LIG 1 -5.755 -0.575 0.078 0.00 0.00 -0.014 A ATOM 19 C LIG 1 -5.154 -1.227 -1.006 0.00 0.00 +0.008 A ATOM 20 C LIG 1 -5.317 -2.603 -1.172 0.00 0.00 +0.001 A ATOM 21 C LIG 1 -6.078 -3.329 -0.257 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -6.677 -2.684 0.825 0.00 0.00 +0.001 A ATOM 23 C LIG 1 -6.516 -1.308 0.995 0.00 0.00 +0.008 A ENDBRANCH 10 18 ENDBRANCH 1 3 BRANCH 1 24 ATOM 24 C LIG 1 -1.217 -0.322 1.256 0.00 0.00 +0.107 C BRANCH 24 25 ATOM 25 C LIG 1 -0.639 -0.205 -0.159 0.00 0.00 +0.054 C BRANCH 25 29 ATOM 26 C LIG 1 3.580 -1.180 -0.234 0.00 0.00 +0.035 A ATOM 27 C LIG 1 3.154 0.109 0.086 0.00 0.00 +0.023 A ATOM 28 C LIG 1 1.790 0.423 0.103 0.00 0.00 +0.005 A ATOM 29 C LIG 1 0.830 -0.548 -0.198 0.00 0.00 -0.046 A ATOM 30 C LIG 1 1.255 -1.844 -0.505 0.00 0.00 +0.005 A ATOM 31 C LIG 1 2.618 -2.155 -0.522 0.00 0.00 +0.023 A BRANCH 26 35 ATOM 32 N LIG 1 7.202 -1.550 -0.107 0.00 0.00 -0.269 N ATOM 33 H LIG 1 7.058 -2.520 0.125 0.00 0.00 +0.156 HD ATOM 34 C LIG 1 6.056 -0.767 -0.172 0.00 0.00 +0.308 C ATOM 35 N LIG 1 4.933 -1.579 -0.262 0.00 0.00 -0.269 N ATOM 36 H LIG 1 5.104 -2.536 -0.527 0.00 0.00 +0.156 HD ATOM 37 O LIG 1 6.040 0.456 -0.152 0.00 0.00 -0.252 OA BRANCH 32 41 ATOM 38 C LIG 1 11.271 -0.399 -0.137 0.00 0.00 +0.120 A ATOM 39 C LIG 1 10.883 -1.713 0.125 0.00 0.00 +0.047 A ATOM 40 C LIG 1 9.531 -2.070 0.131 0.00 0.00 +0.027 A ATOM 41 C LIG 1 8.542 -1.113 -0.120 0.00 0.00 +0.035 A ATOM 42 C LIG 1 8.934 0.199 -0.390 0.00 0.00 +0.027 A ATOM 43 C LIG 1 10.290 0.556 -0.396 0.00 0.00 +0.047 A BRANCH 38 45 ATOM 44 C LIG 1 13.062 1.147 -0.353 0.00 0.00 +0.277 C ATOM 45 O LIG 1 12.621 -0.184 -0.113 0.00 0.00 -0.495 OA ENDBRANCH 38 45 ENDBRANCH 32 41 ENDBRANCH 26 35 ENDBRANCH 25 29 ENDBRANCH 24 25 ENDBRANCH 1 24 TORSDOF 9