REMARK Name = BDB056008 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.057 1.051 -0.667 0.00 0.00 +0.094 A ATOM 2 N LIG 1 0.994 0.239 -0.556 0.00 0.00 -0.172 NA ATOM 3 N LIG 1 0.016 0.852 -1.242 0.00 0.00 -0.263 N ATOM 4 H LIG 1 -0.874 0.373 -1.306 0.00 0.00 +0.190 HD ATOM 5 C LIG 1 0.387 2.053 -1.780 0.00 0.00 +0.121 A ATOM 6 C LIG 1 1.714 2.196 -1.440 0.00 0.00 +0.073 A ENDROOT BRANCH 1 10 ATOM 7 C LIG 1 5.830 0.044 1.141 0.00 0.00 +0.035 A ATOM 8 C LIG 1 4.784 -0.876 1.117 0.00 0.00 +0.024 A ATOM 9 C LIG 1 3.557 -0.542 0.527 0.00 0.00 +0.012 A ATOM 10 C LIG 1 3.348 0.718 -0.050 0.00 0.00 +0.002 A ATOM 11 C LIG 1 4.401 1.641 -0.016 0.00 0.00 +0.012 A ATOM 12 C LIG 1 5.627 1.307 0.575 0.00 0.00 +0.024 A BRANCH 7 16 ATOM 13 N LIG 1 8.802 -1.233 2.795 0.00 0.00 -0.299 N ATOM 14 H LIG 1 8.878 -0.362 3.300 0.00 0.00 +0.150 HD ATOM 15 C LIG 1 7.565 -1.413 2.198 0.00 0.00 +0.304 C ATOM 16 N LIG 1 7.086 -0.210 1.725 0.00 0.00 -0.269 N ATOM 17 H LIG 1 7.776 0.521 1.653 0.00 0.00 +0.156 HD ATOM 18 O LIG 1 7.024 -2.507 2.115 0.00 0.00 -0.253 OA BRANCH 13 20 ATOM 19 C LIG 1 10.890 -2.045 3.781 0.00 0.00 +0.024 C ATOM 20 C LIG 1 9.457 -2.371 3.410 0.00 0.00 +0.102 C ENDBRANCH 13 20 ENDBRANCH 7 16 ENDBRANCH 1 10 BRANCH 5 21 ATOM 21 N LIG 1 -0.376 2.914 -2.544 0.00 0.00 -0.267 N ATOM 22 H LIG 1 0.115 3.661 -3.025 0.00 0.00 +0.157 HD ATOM 23 C LIG 1 -1.707 2.839 -2.889 0.00 0.00 +0.249 C ATOM 24 O LIG 1 -2.151 3.534 -3.801 0.00 0.00 -0.270 OA BRANCH 23 25 ATOM 25 C LIG 1 -2.642 1.969 -2.157 0.00 0.00 +0.037 A ATOM 26 C LIG 1 -3.369 1.012 -2.861 0.00 0.00 +0.015 A ATOM 27 C LIG 1 -4.257 0.173 -2.176 0.00 0.00 +0.024 A ATOM 28 C LIG 1 -4.452 0.282 -0.791 0.00 0.00 +0.030 A ATOM 29 C LIG 1 -3.722 1.280 -0.116 0.00 0.00 +0.024 A ATOM 30 C LIG 1 -2.832 2.125 -0.785 0.00 0.00 +0.015 A BRANCH 28 31 ATOM 31 N LIG 1 -5.321 -0.540 -0.068 0.00 0.00 -0.327 N ATOM 32 C LIG 1 -5.774 -1.834 -0.620 0.00 0.00 +0.120 C ATOM 33 C LIG 1 -7.237 -1.738 -1.103 0.00 0.00 +0.103 C ATOM 34 N LIG 1 -8.199 -1.431 -0.018 0.00 0.00 -0.302 NA ATOM 35 C LIG 1 -9.346 -0.695 -0.542 0.00 0.00 +0.105 C ATOM 36 C LIG 1 -7.544 -0.711 1.097 0.00 0.00 +0.103 C ATOM 37 C LIG 1 -6.360 0.201 0.694 0.00 0.00 +0.120 C ENDBRANCH 28 31 ENDBRANCH 23 25 ENDBRANCH 5 21 TORSDOF 6