REMARK Name = BDB007812 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.238 -1.346 -0.006 0.00 0.00 +0.229 A ATOM 2 O LIG 1 -2.092 -0.606 0.080 0.00 0.00 -0.434 OA ATOM 3 C LIG 1 -1.081 -1.516 0.270 0.00 0.00 +0.168 A ATOM 4 C LIG 1 -1.669 -2.767 0.323 0.00 0.00 +0.172 A ATOM 5 N LIG 1 -3.047 -2.641 0.147 0.00 0.00 -0.204 NA ENDROOT BRANCH 1 8 ATOM 6 C LIG 1 -5.751 -2.158 1.391 0.00 0.00 +0.044 C ATOM 7 C LIG 1 -5.686 -0.978 0.457 0.00 0.00 -0.037 A ATOM 8 C LIG 1 -4.483 -0.607 -0.189 0.00 0.00 +0.049 A ATOM 9 C LIG 1 -4.488 0.509 -1.069 0.00 0.00 +0.012 A ATOM 10 C LIG 1 -5.683 1.214 -1.263 0.00 0.00 +0.050 A ATOM 11 N LIG 1 -5.412 2.235 -2.153 0.00 0.00 -0.360 N ATOM 12 H LIG 1 -6.092 2.908 -2.475 0.00 0.00 +0.165 HD ATOM 13 C LIG 1 -4.104 2.200 -2.543 0.00 0.00 +0.083 A ATOM 14 C LIG 1 -6.891 0.873 -0.632 0.00 0.00 -0.026 A ATOM 15 C LIG 1 -8.189 1.604 -0.827 0.00 0.00 +0.046 C ATOM 16 C LIG 1 -3.507 1.145 -1.896 0.00 0.00 +0.028 A ATOM 17 C LIG 1 -6.856 -0.243 0.222 0.00 0.00 +0.009 A ENDBRANCH 1 8 BRANCH 3 18 ATOM 18 C LIG 1 0.254 -0.941 0.346 0.00 0.00 +0.020 A ATOM 19 C LIG 1 1.370 -1.601 -0.172 0.00 0.00 +0.013 A ATOM 20 C LIG 1 2.650 -1.028 -0.099 0.00 0.00 +0.024 A ATOM 21 C LIG 1 2.864 0.222 0.496 0.00 0.00 +0.030 A ATOM 22 C LIG 1 1.731 0.887 0.989 0.00 0.00 +0.024 A ATOM 23 C LIG 1 0.452 0.320 0.918 0.00 0.00 +0.013 A BRANCH 21 24 ATOM 24 N LIG 1 4.123 0.836 0.586 0.00 0.00 -0.327 N ATOM 25 C LIG 1 5.219 0.301 -0.250 0.00 0.00 +0.126 C ATOM 26 C LIG 1 6.475 1.234 -0.216 0.00 0.00 +0.029 C ATOM 27 C LIG 1 7.643 0.508 -0.910 0.00 0.00 +0.029 C ATOM 28 C LIG 1 6.199 2.539 -0.989 0.00 0.00 +0.029 C ATOM 29 N LIG 1 6.921 1.538 1.173 0.00 0.00 -0.308 NA ATOM 30 H LIG 1 7.242 0.667 1.597 0.00 0.00 +0.123 HD ATOM 31 C LIG 1 5.795 2.036 1.987 0.00 0.00 +0.100 C ATOM 32 C LIG 1 4.547 1.125 1.974 0.00 0.00 +0.120 C ENDBRANCH 21 24 ENDBRANCH 3 18 BRANCH 4 33 ATOM 33 C LIG 1 -1.048 -4.063 0.554 0.00 0.00 +0.264 C ATOM 34 O LIG 1 0.140 -4.255 0.786 0.00 0.00 -0.269 OA ATOM 35 N LIG 1 -1.932 -5.104 0.496 0.00 0.00 -0.324 N ATOM 36 H LIG 1 -1.607 -6.041 0.678 0.00 0.00 +0.145 HD ATOM 37 H LIG 1 -2.914 -4.915 0.338 0.00 0.00 +0.145 HD ENDBRANCH 4 33 TORSDOF 4