REMARK Name = BDB004858 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.425 -1.876 -0.956 0.00 0.00 +0.099 C ATOM 2 C LIG 1 -2.231 -2.985 -1.639 0.00 0.00 +0.033 C ENDROOT BRANCH 1 5 ATOM 3 C LIG 1 2.377 -1.587 -0.586 0.00 0.00 +0.034 A ATOM 4 C LIG 1 1.009 -1.619 -0.304 0.00 0.00 +0.028 A ATOM 5 C LIG 1 0.063 -1.929 -1.303 0.00 0.00 -0.026 A ATOM 6 C LIG 1 0.521 -2.192 -2.602 0.00 0.00 +0.005 A ATOM 7 C LIG 1 1.885 -2.179 -2.887 0.00 0.00 +0.002 A ATOM 8 C LIG 1 2.808 -1.878 -1.884 0.00 0.00 +0.023 A BRANCH 3 10 ATOM 9 C LIG 1 3.202 -0.918 1.689 0.00 0.00 +0.268 C ATOM 10 N LIG 1 3.364 -1.255 0.358 0.00 0.00 -0.280 N ATOM 11 H LIG 1 4.332 -1.238 0.041 0.00 0.00 +0.155 HD ATOM 12 O LIG 1 2.155 -0.880 2.323 0.00 0.00 -0.268 OA BRANCH 9 17 ATOM 13 C LIG 1 8.076 0.507 4.231 0.00 0.00 +0.067 C ATOM 14 C LIG 1 6.791 0.097 3.582 0.00 0.00 +0.056 A ATOM 15 N LIG 1 5.656 0.172 4.323 0.00 0.00 -0.256 NA ATOM 16 C LIG 1 4.506 -0.173 3.687 0.00 0.00 +0.144 A ATOM 17 C LIG 1 4.489 -0.570 2.359 0.00 0.00 +0.144 A ATOM 18 N LIG 1 5.622 -0.646 1.599 0.00 0.00 -0.247 NA ATOM 19 C LIG 1 6.761 -0.299 2.246 0.00 0.00 +0.134 A ENDBRANCH 9 17 ENDBRANCH 3 10 ENDBRANCH 1 5 BRANCH 1 20 ATOM 20 N LIG 1 -1.915 -0.556 -1.373 0.00 0.00 -0.322 N ATOM 21 H LIG 1 -1.176 0.136 -1.268 0.00 0.00 +0.148 HD BRANCH 20 22 ATOM 22 C LIG 1 -3.062 -0.057 -0.719 0.00 0.00 +0.130 A ATOM 23 C LIG 1 -3.550 1.219 -1.071 0.00 0.00 +0.041 A ATOM 24 C LIG 1 -4.679 1.681 -0.366 0.00 0.00 +0.088 A ATOM 25 C LIG 1 -5.165 2.966 -0.686 0.00 0.00 +0.063 A ATOM 26 C LIG 1 -4.553 3.758 -1.677 0.00 0.00 +0.015 A ATOM 27 C LIG 1 -3.457 3.284 -2.380 0.00 0.00 +0.002 A ATOM 28 N LIG 1 -5.256 0.909 0.582 0.00 0.00 -0.235 NA ATOM 29 C LIG 1 -4.725 -0.296 0.816 0.00 0.00 +0.223 A ATOM 30 C LIG 1 -2.962 2.023 -2.080 0.00 0.00 +0.013 A ATOM 31 N LIG 1 -3.660 -0.816 0.210 0.00 0.00 -0.220 NA BRANCH 25 32 ATOM 32 C LIG 1 -6.345 3.587 -0.008 0.00 0.00 +0.244 C ATOM 33 O LIG 1 -6.629 4.770 -0.171 0.00 0.00 -0.270 OA ATOM 34 N LIG 1 -7.112 2.808 0.806 0.00 0.00 -0.325 N ATOM 35 H LIG 1 -6.802 1.875 1.061 0.00 0.00 +0.145 HD ATOM 36 H LIG 1 -7.848 3.251 1.337 0.00 0.00 +0.145 HD ENDBRANCH 25 32 ENDBRANCH 20 22 ENDBRANCH 1 20 TORSDOF 6