REMARK Name = BDB012473 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.500 0.592 0.209 0.00 0.00 -0.044 A ATOM 2 C LIG 1 2.425 1.484 0.364 0.00 0.00 +0.033 A ATOM 3 C LIG 1 1.463 1.580 -0.653 0.00 0.00 +0.091 A ATOM 4 N LIG 1 0.343 2.364 -0.716 0.00 0.00 -0.214 NA ATOM 5 C LIG 1 -0.221 2.108 -1.873 0.00 0.00 +0.204 A ATOM 6 N LIG 1 -1.336 2.727 -2.391 0.00 0.00 -0.252 N ATOM 7 H LIG 1 -1.436 2.817 -3.391 0.00 0.00 +0.158 HD ATOM 8 C LIG 1 -2.240 3.455 -1.651 0.00 0.00 +0.250 C ATOM 9 O LIG 1 -2.983 4.273 -2.188 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 -2.475 3.087 -0.239 0.00 0.00 +0.037 A ATOM 11 C LIG 1 -3.314 1.996 0.025 0.00 0.00 +0.018 A ATOM 12 C LIG 1 -3.501 1.538 1.335 0.00 0.00 -0.025 A ATOM 13 C LIG 1 -2.898 2.266 2.377 0.00 0.00 +0.005 A ATOM 14 C LIG 1 -2.108 3.393 2.113 0.00 0.00 +0.001 A ATOM 15 C LIG 1 -4.384 0.348 1.671 0.00 0.00 +0.182 C ATOM 16 N LIG 1 -4.471 -0.752 0.703 0.00 0.00 -0.225 N ATOM 17 N LIG 1 -3.417 -0.954 -0.160 0.00 0.00 -0.168 NA ATOM 18 C LIG 1 -3.467 -1.946 -0.995 0.00 0.00 +0.092 A ATOM 19 C LIG 1 -4.573 -2.922 -1.045 0.00 0.00 +0.035 A ATOM 20 C LIG 1 -5.553 -2.756 -0.156 0.00 0.00 +0.074 A ATOM 21 C LIG 1 -2.369 -2.080 -1.996 0.00 0.00 +0.002 A ATOM 22 C LIG 1 -1.746 -0.899 -2.423 0.00 0.00 +0.015 A ATOM 23 C LIG 1 -0.665 -0.913 -3.319 0.00 0.00 -0.027 A ATOM 24 C LIG 1 -0.245 -2.148 -3.825 0.00 0.00 +0.005 A ATOM 25 C LIG 1 -0.870 -3.333 -3.416 0.00 0.00 +0.001 A ATOM 26 C LIG 1 0.023 0.377 -3.713 0.00 0.00 +0.160 C ATOM 27 C LIG 1 -1.924 -3.304 -2.497 0.00 0.00 +0.010 A ATOM 28 C LIG 1 -5.532 -1.641 0.817 0.00 0.00 +0.268 A ATOM 29 O LIG 1 -6.437 -1.559 1.643 0.00 0.00 -0.266 OA ATOM 30 C LIG 1 -1.892 3.808 0.800 0.00 0.00 +0.013 A ATOM 31 N LIG 1 0.475 1.118 -2.542 0.00 0.00 -0.307 N ATOM 32 C LIG 1 1.587 0.795 -1.792 0.00 0.00 +0.070 A ATOM 33 C LIG 1 2.639 -0.110 -1.973 0.00 0.00 +0.028 A ATOM 34 C LIG 1 3.592 -0.193 -0.950 0.00 0.00 +0.006 A ENDROOT BRANCH 1 35 ATOM 35 C LIG 1 4.529 0.449 1.303 0.00 0.00 +0.054 C BRANCH 35 36 ATOM 36 C LIG 1 4.166 -0.676 2.275 0.00 0.00 +0.109 C BRANCH 36 39 ATOM 37 C LIG 1 7.239 -1.464 4.354 0.00 0.00 +0.109 C ATOM 38 C LIG 1 6.338 -1.457 3.149 0.00 0.00 +0.210 C ATOM 39 N LIG 1 5.139 -0.812 3.344 0.00 0.00 -0.315 N ATOM 40 H LIG 1 4.971 -0.320 4.212 0.00 0.00 +0.149 HD ATOM 41 O LIG 1 6.668 -1.972 2.086 0.00 0.00 -0.276 OA ENDBRANCH 36 39 ENDBRANCH 35 36 ENDBRANCH 1 35 TORSDOF 3