REMARK Name = BDB064586 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.829 -1.782 0.910 0.00 0.00 -0.302 N ATOM 2 H LIG 1 -1.366 -2.068 1.725 0.00 0.00 +0.150 HD ATOM 3 C LIG 1 -1.449 -1.674 -0.313 0.00 0.00 +0.234 C ATOM 4 O LIG 1 -0.926 -1.122 -1.279 0.00 0.00 -0.274 OA ENDROOT BRANCH 3 5 ATOM 5 C LIG 1 -2.827 -2.366 -0.382 0.00 0.00 +0.164 C ATOM 6 N LIG 1 -3.656 -1.772 -1.429 0.00 0.00 -0.286 N ATOM 7 C LIG 1 -4.280 -0.546 -1.408 0.00 0.00 +0.237 C ATOM 8 O LIG 1 -4.773 -0.064 -2.434 0.00 0.00 -0.274 OA ATOM 9 C LIG 1 -3.569 -2.544 -2.658 0.00 0.00 +0.140 C ATOM 10 C LIG 1 -2.611 -3.700 -2.355 0.00 0.00 +0.134 C ATOM 11 C LIG 1 -2.657 -3.812 -0.830 0.00 0.00 +0.065 C BRANCH 10 12 ATOM 12 O LIG 1 -3.024 -4.926 -2.938 0.00 0.00 -0.390 OA ATOM 13 H LIG 1 -2.983 -4.817 -3.904 0.00 0.00 +0.210 HD ENDBRANCH 10 12 BRANCH 7 14 ATOM 14 C LIG 1 -4.360 0.232 -0.068 0.00 0.00 +0.164 C BRANCH 14 15 ATOM 15 N LIG 1 -3.948 1.599 -0.395 0.00 0.00 -0.304 N ATOM 16 H LIG 1 -4.343 1.968 -1.256 0.00 0.00 +0.149 HD ATOM 17 C LIG 1 -2.732 2.096 0.011 0.00 0.00 +0.211 C ATOM 18 O LIG 1 -2.002 1.538 0.825 0.00 0.00 -0.276 OA ATOM 19 C LIG 1 -2.362 3.410 -0.623 0.00 0.00 +0.109 C ENDBRANCH 14 15 BRANCH 14 20 ATOM 20 C LIG 1 -5.774 0.182 0.592 0.00 0.00 -0.011 C ATOM 21 C LIG 1 -5.734 0.954 1.930 0.00 0.00 +0.013 C ATOM 22 C LIG 1 -6.170 -1.275 0.903 0.00 0.00 +0.013 C ATOM 23 C LIG 1 -6.871 0.807 -0.290 0.00 0.00 +0.013 C ENDBRANCH 14 20 ENDBRANCH 7 14 ENDBRANCH 3 5 BRANCH 1 24 ATOM 24 C LIG 1 0.360 -0.979 1.212 0.00 0.00 +0.163 C BRANCH 24 25 ATOM 25 C LIG 1 0.367 -0.781 2.739 0.00 0.00 +0.231 C ATOM 26 O LIG 1 -0.377 -1.408 3.493 0.00 0.00 -0.274 OA ATOM 27 N LIG 1 1.253 0.126 3.237 0.00 0.00 -0.328 N ATOM 28 H LIG 1 1.198 0.336 4.225 0.00 0.00 +0.145 HD ATOM 29 H LIG 1 1.727 0.791 2.636 0.00 0.00 +0.145 HD ENDBRANCH 24 25 BRANCH 24 30 ATOM 30 C LIG 1 1.639 -1.674 0.719 0.00 0.00 +0.067 C BRANCH 30 34 ATOM 31 C LIG 1 4.960 1.075 0.186 0.00 0.00 -0.014 A ATOM 32 C LIG 1 3.848 1.107 -0.670 0.00 0.00 +0.009 A ATOM 33 C LIG 1 2.783 0.217 -0.502 0.00 0.00 +0.004 A ATOM 34 C LIG 1 2.802 -0.727 0.532 0.00 0.00 -0.045 A ATOM 35 C LIG 1 3.910 -0.773 1.385 0.00 0.00 +0.004 A ATOM 36 C LIG 1 4.972 0.120 1.214 0.00 0.00 +0.009 A BRANCH 31 38 ATOM 37 C LIG 1 7.397 1.613 -0.258 0.00 0.00 +0.128 A ATOM 38 C LIG 1 6.074 2.029 0.017 0.00 0.00 +0.024 A ATOM 39 C LIG 1 5.814 3.409 0.133 0.00 0.00 +0.012 A ATOM 40 C LIG 1 6.831 4.352 -0.013 0.00 0.00 +0.001 A ATOM 41 C LIG 1 8.129 3.931 -0.278 0.00 0.00 +0.004 A ATOM 42 C LIG 1 8.412 2.569 -0.400 0.00 0.00 +0.046 A BRANCH 37 44 ATOM 43 C LIG 1 8.887 -0.186 -0.777 0.00 0.00 +0.277 C ATOM 44 O LIG 1 7.599 0.259 -0.374 0.00 0.00 -0.495 OA ENDBRANCH 37 44 ENDBRANCH 31 38 ENDBRANCH 30 34 ENDBRANCH 24 30 ENDBRANCH 1 24 TORSDOF 11