REMARK Name = BDB001327 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.056 0.789 -0.777 0.00 0.00 +0.191 C ATOM 2 C LIG 1 -0.163 0.880 -1.760 0.00 0.00 +0.174 C ATOM 3 N LIG 1 -1.379 1.393 -1.104 0.00 0.00 -0.307 N ATOM 4 C LIG 1 -2.315 0.582 -0.514 0.00 0.00 +0.077 A ATOM 5 C LIG 1 -3.342 1.338 0.007 0.00 0.00 +0.015 A ATOM 6 C LIG 1 -4.380 0.638 0.644 0.00 0.00 -0.008 A ATOM 7 C LIG 1 -5.615 1.178 1.302 0.00 0.00 +0.141 C ATOM 8 N LIG 1 -6.274 -0.005 1.778 0.00 0.00 -0.307 N ATOM 9 H LIG 1 -7.148 -0.032 2.284 0.00 0.00 +0.149 HD ATOM 10 C LIG 1 -5.582 -1.165 1.504 0.00 0.00 +0.245 C ATOM 11 O LIG 1 -5.954 -2.278 1.819 0.00 0.00 -0.270 OA ATOM 12 C LIG 1 -4.360 -0.785 0.779 0.00 0.00 +0.052 A ATOM 13 C LIG 1 -3.339 -1.623 0.305 0.00 0.00 +0.022 A ATOM 14 C LIG 1 -3.001 -3.011 0.290 0.00 0.00 +0.008 A ATOM 15 C LIG 1 -1.781 -3.143 -0.395 0.00 0.00 +0.052 A ATOM 16 N LIG 1 -1.394 -1.872 -0.795 0.00 0.00 -0.311 N ATOM 17 C LIG 1 -0.262 -1.588 -1.668 0.00 0.00 +0.224 C ATOM 18 C LIG 1 1.132 -1.701 -1.035 0.00 0.00 +0.080 C ATOM 19 C LIG 1 -1.165 -4.393 -0.586 0.00 0.00 +0.026 A ATOM 20 C LIG 1 -1.795 -5.530 -0.074 0.00 0.00 +0.002 A ATOM 21 C LIG 1 -3.002 -5.429 0.605 0.00 0.00 +0.001 A ATOM 22 C LIG 1 -3.610 -4.183 0.791 0.00 0.00 +0.010 A ATOM 23 C LIG 1 -3.002 2.697 -0.235 0.00 0.00 +0.008 A ATOM 24 C LIG 1 -3.637 3.919 0.081 0.00 0.00 +0.010 A ATOM 25 C LIG 1 -3.012 5.131 -0.215 0.00 0.00 +0.001 A ATOM 26 C LIG 1 -1.757 5.140 -0.805 0.00 0.00 +0.002 A ATOM 27 C LIG 1 -1.106 3.946 -1.133 0.00 0.00 +0.026 A ATOM 28 C LIG 1 -2.313 -0.969 -0.356 0.00 0.00 +0.077 A ATOM 29 C LIG 1 -1.746 2.719 -0.871 0.00 0.00 +0.053 A ATOM 30 C LIG 1 0.233 1.715 -3.002 0.00 0.00 +0.069 C ATOM 31 O LIG 1 -0.483 -0.383 -2.405 0.00 0.00 -0.328 OA ATOM 32 C LIG 1 1.922 -0.406 -1.236 0.00 0.00 +0.114 C ENDROOT BRANCH 32 33 ATOM 33 N LIG 1 3.304 -0.411 -0.693 0.00 0.00 -0.295 N ATOM 34 C LIG 1 3.561 -0.728 0.645 0.00 0.00 +0.247 C ATOM 35 O LIG 1 2.753 -1.240 1.412 0.00 0.00 -0.270 OA ATOM 36 C LIG 1 4.359 -0.024 -1.628 0.00 0.00 +0.132 C BRANCH 34 37 ATOM 37 C LIG 1 4.897 -0.431 1.209 0.00 0.00 +0.037 A ATOM 38 C LIG 1 5.645 -1.475 1.760 0.00 0.00 +0.013 A ATOM 39 C LIG 1 6.896 -1.208 2.318 0.00 0.00 +0.001 A ATOM 40 C LIG 1 7.386 0.099 2.338 0.00 0.00 +0.000 A ATOM 41 C LIG 1 6.626 1.145 1.810 0.00 0.00 +0.001 A ATOM 42 C LIG 1 5.375 0.884 1.251 0.00 0.00 +0.013 A ENDBRANCH 34 37 ENDBRANCH 32 33 BRANCH 1 44 ATOM 43 C LIG 1 0.952 1.548 1.490 0.00 0.00 +0.194 C ATOM 44 O LIG 1 0.609 0.531 0.562 0.00 0.00 -0.373 OA ENDBRANCH 1 44 TORSDOF 3