REMARK Name = BDB001470 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.629 1.381 1.934 0.00 0.00 +0.173 C ATOM 2 N LIG 1 1.315 0.707 0.857 0.00 0.00 -0.264 N ATOM 3 C LIG 1 0.781 -0.124 -0.083 0.00 0.00 +0.091 A ATOM 4 C LIG 1 -0.586 -0.565 -0.286 0.00 0.00 +0.097 A ATOM 5 C LIG 1 -0.792 -1.582 -1.204 0.00 0.00 -0.001 A ATOM 6 C LIG 1 0.355 -2.285 -1.889 0.00 0.00 +0.043 C ATOM 7 C LIG 1 1.634 -1.423 -2.052 0.00 0.00 +0.044 C ATOM 8 C LIG 1 -2.103 -1.948 -1.353 0.00 0.00 +0.120 A ATOM 9 N LIG 1 -3.114 -1.354 -0.689 0.00 0.00 -0.222 NA ATOM 10 C LIG 1 -2.812 -0.365 0.170 0.00 0.00 +0.220 A ATOM 11 N LIG 1 -1.558 0.055 0.402 0.00 0.00 -0.212 NA ATOM 12 C LIG 1 1.835 -0.524 -0.880 0.00 0.00 +0.012 A ATOM 13 C LIG 1 2.981 0.120 -0.356 0.00 0.00 +0.151 A ATOM 14 N LIG 1 2.653 0.871 0.721 0.00 0.00 -0.166 NA ENDROOT BRANCH 13 15 ATOM 15 C LIG 1 4.366 0.049 -0.852 0.00 0.00 +0.265 C ATOM 16 N LIG 1 5.240 0.809 -0.100 0.00 0.00 -0.307 N ATOM 17 H LIG 1 4.816 1.306 0.679 0.00 0.00 +0.149 HD ATOM 18 O LIG 1 4.695 -0.620 -1.828 0.00 0.00 -0.268 OA BRANCH 16 19 ATOM 19 C LIG 1 6.630 0.924 -0.377 0.00 0.00 +0.073 C ATOM 20 C LIG 1 7.172 2.149 -1.059 0.00 0.00 +0.024 C ATOM 21 C LIG 1 7.486 1.898 0.386 0.00 0.00 +0.024 C ENDBRANCH 16 19 ENDBRANCH 13 15 BRANCH 10 22 ATOM 22 N LIG 1 -3.793 0.305 0.895 0.00 0.00 -0.284 N ATOM 23 H LIG 1 -3.357 1.017 1.459 0.00 0.00 +0.155 HD BRANCH 22 24 ATOM 24 C LIG 1 -5.188 0.216 0.965 0.00 0.00 +0.034 A ATOM 25 C LIG 1 -5.951 -0.699 0.234 0.00 0.00 +0.023 A ATOM 26 C LIG 1 -7.346 -0.741 0.353 0.00 0.00 +0.002 A ATOM 27 C LIG 1 -8.002 0.135 1.210 0.00 0.00 +0.000 A ATOM 28 C LIG 1 -7.265 1.052 1.950 0.00 0.00 +0.002 A ATOM 29 C LIG 1 -5.872 1.089 1.827 0.00 0.00 +0.023 A ENDBRANCH 22 24 ENDBRANCH 10 22 TORSDOF 4