REMARK Name = BDB060776 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.034 -0.309 -0.010 0.00 0.00 +0.220 A ATOM 2 N LIG 1 -3.215 0.211 -0.373 0.00 0.00 -0.213 NA ATOM 3 C LIG 1 -4.341 -0.433 0.024 0.00 0.00 +0.096 A ATOM 4 C LIG 1 -4.325 -1.593 0.764 0.00 0.00 +0.096 A ATOM 5 C LIG 1 -3.071 -2.050 1.084 0.00 0.00 +0.135 A ATOM 6 N LIG 1 -1.929 -1.431 0.716 0.00 0.00 -0.221 NA ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -5.578 0.199 -0.408 0.00 0.00 +0.030 A ATOM 8 C LIG 1 -6.604 0.808 0.382 0.00 0.00 +0.009 A ATOM 9 C LIG 1 -7.584 1.262 -0.500 0.00 0.00 +0.047 A ATOM 10 C LIG 1 -8.749 1.909 -0.072 0.00 0.00 +0.026 A ATOM 11 C LIG 1 -8.916 2.103 1.302 0.00 0.00 +0.002 A ATOM 12 C LIG 1 -7.952 1.670 2.208 0.00 0.00 +0.001 A ATOM 13 N LIG 1 -7.163 0.952 -1.772 0.00 0.00 -0.358 N ATOM 14 H LIG 1 -7.681 1.175 -2.611 0.00 0.00 +0.166 HD ATOM 15 C LIG 1 -6.793 1.025 1.764 0.00 0.00 +0.010 A ATOM 16 C LIG 1 -5.948 0.312 -1.740 0.00 0.00 +0.023 A ATOM 17 C LIG 1 -5.265 -0.119 -2.988 0.00 0.00 +0.064 C ENDBRANCH 3 7 BRANCH 1 18 ATOM 18 N LIG 1 -0.923 0.406 -0.441 0.00 0.00 -0.284 N ATOM 19 H LIG 1 -1.235 1.220 -0.950 0.00 0.00 +0.155 HD BRANCH 18 23 ATOM 20 C LIG 1 3.319 0.009 -0.096 0.00 0.00 +0.030 A ATOM 21 C LIG 1 2.707 1.078 -0.763 0.00 0.00 +0.025 A ATOM 22 C LIG 1 1.312 1.191 -0.866 0.00 0.00 +0.025 A ATOM 23 C LIG 1 0.457 0.238 -0.302 0.00 0.00 +0.034 A ATOM 24 C LIG 1 1.054 -0.827 0.367 0.00 0.00 +0.025 A ATOM 25 C LIG 1 2.453 -0.935 0.469 0.00 0.00 +0.025 A BRANCH 20 31 ATOM 26 C LIG 1 9.670 -0.474 1.469 0.00 0.00 +0.109 C ATOM 27 C LIG 1 8.997 -0.363 0.124 0.00 0.00 +0.213 C ATOM 28 N LIG 1 7.614 -0.386 0.111 0.00 0.00 -0.299 N ATOM 29 C LIG 1 6.774 -0.556 1.300 0.00 0.00 +0.126 C ATOM 30 C LIG 1 5.334 -0.999 0.976 0.00 0.00 +0.124 C ATOM 31 N LIG 1 4.698 -0.091 0.009 0.00 0.00 -0.327 N ATOM 32 C LIG 1 5.571 0.528 -1.009 0.00 0.00 +0.124 C ATOM 33 C LIG 1 6.907 -0.221 -1.161 0.00 0.00 +0.126 C ATOM 34 O LIG 1 9.670 -0.264 -0.902 0.00 0.00 -0.276 OA ENDBRANCH 20 31 ENDBRANCH 18 23 ENDBRANCH 1 18 BRANCH 4 35 ATOM 35 C LIG 1 -5.484 -2.315 1.165 0.00 0.00 +0.103 C ATOM 36 N LIG 1 -6.397 -2.940 1.515 0.00 0.00 -0.191 NA ENDBRANCH 4 35 TORSDOF 5