REMARK Name = BDB004989 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.321 -1.992 -0.880 0.00 0.00 -0.029 A ATOM 2 C LIG 1 1.395 -1.143 -0.558 0.00 0.00 +0.028 A ATOM 3 C LIG 1 2.574 -1.644 0.010 0.00 0.00 +0.034 A ATOM 4 C LIG 1 2.669 -3.013 0.260 0.00 0.00 +0.023 A ATOM 5 C LIG 1 1.607 -3.867 -0.054 0.00 0.00 +0.002 A ATOM 6 C LIG 1 0.438 -3.361 -0.619 0.00 0.00 +0.005 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 3.591 -0.710 0.302 0.00 0.00 -0.281 N ATOM 8 H LIG 1 3.378 0.247 0.061 0.00 0.00 +0.155 HD ATOM 9 C LIG 1 4.854 -0.963 0.811 0.00 0.00 +0.253 C ATOM 10 O LIG 1 5.312 -2.076 1.052 0.00 0.00 -0.270 OA BRANCH 9 11 ATOM 11 C LIG 1 5.653 0.238 1.042 0.00 0.00 +0.096 A ATOM 12 C LIG 1 7.018 0.276 1.263 0.00 0.00 +0.124 A ATOM 13 N LIG 1 7.347 1.593 1.434 0.00 0.00 -0.264 N ATOM 14 H LIG 1 8.268 1.985 1.592 0.00 0.00 +0.190 HD ATOM 15 N LIG 1 6.293 2.425 1.365 0.00 0.00 -0.180 NA ATOM 16 C LIG 1 5.269 1.600 1.134 0.00 0.00 +0.149 A BRANCH 12 17 ATOM 17 N LIG 1 7.950 -0.701 1.304 0.00 0.00 -0.343 N ATOM 18 H LIG 1 7.608 -1.666 1.341 0.00 0.00 +0.144 HD ATOM 19 H LIG 1 8.828 -0.588 1.804 0.00 0.00 +0.144 HD ENDBRANCH 12 17 ENDBRANCH 9 11 ENDBRANCH 3 7 BRANCH 1 20 ATOM 20 C LIG 1 -0.944 -1.421 -1.481 0.00 0.00 +0.138 C BRANCH 20 21 ATOM 21 N LIG 1 -1.612 -0.609 -0.470 0.00 0.00 -0.324 N ATOM 22 H LIG 1 -1.778 -1.153 0.372 0.00 0.00 +0.148 HD BRANCH 21 26 ATOM 23 C LIG 1 -5.521 2.103 0.457 0.00 0.00 +0.063 A ATOM 24 C LIG 1 -4.767 1.321 -0.444 0.00 0.00 +0.088 A ATOM 25 C LIG 1 -3.558 0.771 0.027 0.00 0.00 +0.041 A ATOM 26 C LIG 1 -2.826 -0.019 -0.884 0.00 0.00 +0.130 A ATOM 27 N LIG 1 -3.228 -0.212 -2.150 0.00 0.00 -0.220 NA ATOM 28 C LIG 1 -4.379 0.356 -2.503 0.00 0.00 +0.223 A ATOM 29 C LIG 1 -3.125 1.030 1.352 0.00 0.00 +0.013 A ATOM 30 C LIG 1 -3.880 1.805 2.220 0.00 0.00 +0.002 A ATOM 31 N LIG 1 -5.167 1.098 -1.716 0.00 0.00 -0.235 NA ATOM 32 C LIG 1 -5.079 2.337 1.774 0.00 0.00 +0.015 A BRANCH 23 36 ATOM 33 N LIG 1 -7.320 2.550 -1.161 0.00 0.00 -0.325 N ATOM 34 H LIG 1 -6.803 2.007 -1.847 0.00 0.00 +0.145 HD ATOM 35 H LIG 1 -8.191 2.990 -1.418 0.00 0.00 +0.145 HD ATOM 36 C LIG 1 -6.827 2.740 0.096 0.00 0.00 +0.244 C ATOM 37 O LIG 1 -7.455 3.420 0.901 0.00 0.00 -0.270 OA ENDBRANCH 23 36 ENDBRANCH 21 26 ENDBRANCH 20 21 ENDBRANCH 1 20 TORSDOF 7