REMARK Name = BDB005025 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.701 -1.506 1.964 0.00 0.00 -0.029 A ATOM 2 C LIG 1 1.419 -0.992 1.692 0.00 0.00 +0.028 A ATOM 3 C LIG 1 0.440 -1.783 1.088 0.00 0.00 +0.034 A ATOM 4 C LIG 1 0.754 -3.105 0.749 0.00 0.00 +0.023 A ATOM 5 C LIG 1 2.025 -3.624 1.004 0.00 0.00 +0.002 A ATOM 6 C LIG 1 2.995 -2.827 1.607 0.00 0.00 +0.005 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -0.866 -1.337 0.797 0.00 0.00 -0.281 N ATOM 8 H LIG 1 -1.462 -2.012 0.334 0.00 0.00 +0.155 HD ATOM 9 C LIG 1 -1.388 -0.072 0.994 0.00 0.00 +0.248 C ATOM 10 O LIG 1 -0.797 0.917 1.411 0.00 0.00 -0.270 OA BRANCH 9 11 ATOM 11 C LIG 1 -2.821 0.078 0.615 0.00 0.00 +0.037 A ATOM 12 C LIG 1 -3.244 1.283 0.051 0.00 0.00 +0.015 A ATOM 13 C LIG 1 -4.583 1.457 -0.323 0.00 0.00 +0.024 A ATOM 14 C LIG 1 -5.532 0.436 -0.144 0.00 0.00 +0.036 A ATOM 15 C LIG 1 -5.090 -0.755 0.456 0.00 0.00 +0.024 A ATOM 16 C LIG 1 -3.753 -0.938 0.833 0.00 0.00 +0.015 A BRANCH 14 17 ATOM 17 N LIG 1 -6.916 0.615 -0.513 0.00 0.00 -0.271 N ATOM 18 C LIG 1 -7.702 -0.484 -0.901 0.00 0.00 +0.220 C ATOM 19 O LIG 1 -7.280 -1.630 -1.073 0.00 0.00 -0.275 OA ATOM 20 C LIG 1 -9.197 -0.246 -1.029 0.00 0.00 +0.096 C ATOM 21 C LIG 1 -9.570 1.129 -1.535 0.00 0.00 +0.011 C ATOM 22 C LIG 1 -8.886 2.166 -0.672 0.00 0.00 +0.020 C ATOM 23 C LIG 1 -7.380 1.983 -0.774 0.00 0.00 +0.113 C ENDBRANCH 14 17 ENDBRANCH 9 11 ENDBRANCH 3 7 BRANCH 1 24 ATOM 24 C LIG 1 3.748 -0.627 2.607 0.00 0.00 +0.138 C BRANCH 24 25 ATOM 25 N LIG 1 4.308 0.296 1.629 0.00 0.00 -0.324 N ATOM 26 H LIG 1 4.501 1.203 2.042 0.00 0.00 +0.148 HD BRANCH 25 30 ATOM 27 C LIG 1 7.589 1.054 -1.848 0.00 0.00 +0.063 A ATOM 28 C LIG 1 7.081 0.243 -0.810 0.00 0.00 +0.088 A ATOM 29 C LIG 1 5.925 0.691 -0.141 0.00 0.00 +0.041 A ATOM 30 C LIG 1 5.438 -0.124 0.903 0.00 0.00 +0.130 A ATOM 31 N LIG 1 6.023 -1.286 1.231 0.00 0.00 -0.220 NA ATOM 32 C LIG 1 7.103 -1.630 0.534 0.00 0.00 +0.223 A ATOM 33 C LIG 1 5.298 1.901 -0.533 0.00 0.00 +0.013 A ATOM 34 C LIG 1 5.811 2.681 -1.559 0.00 0.00 +0.002 A ATOM 35 N LIG 1 7.664 -0.925 -0.455 0.00 0.00 -0.235 NA ATOM 36 C LIG 1 6.958 2.260 -2.212 0.00 0.00 +0.015 A BRANCH 27 40 ATOM 37 N LIG 1 9.470 -0.452 -2.342 0.00 0.00 -0.325 N ATOM 38 H LIG 1 10.289 -0.701 -2.876 0.00 0.00 +0.145 HD ATOM 39 H LIG 1 9.128 -1.074 -1.615 0.00 0.00 +0.145 HD ATOM 40 C LIG 1 8.814 0.706 -2.635 0.00 0.00 +0.244 C ATOM 41 O LIG 1 9.234 1.436 -3.527 0.00 0.00 -0.270 OA ENDBRANCH 27 40 ENDBRANCH 25 30 ENDBRANCH 24 25 ENDBRANCH 1 24 TORSDOF 7