REMARK Name = BDB027146 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.850 -1.016 0.003 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.151 -1.913 -1.012 0.00 0.00 -0.023 A ATOM 3 C LIG 1 -0.446 -3.107 -0.568 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.091 -3.962 -1.463 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -1.141 -3.642 -2.817 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -0.536 -2.475 -3.278 0.00 0.00 +0.000 A ATOM 7 C LIG 1 0.112 -1.619 -2.384 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 0.991 0.475 -0.404 0.00 0.00 +0.186 C ATOM 9 O LIG 1 2.110 0.989 -0.524 0.00 0.00 -0.290 OA BRANCH 8 14 ATOM 10 C LIG 1 -4.434 1.364 -0.108 0.00 0.00 +0.004 A ATOM 11 C LIG 1 -3.678 2.392 -0.690 0.00 0.00 +0.036 A ATOM 12 C LIG 1 -2.287 2.238 -0.793 0.00 0.00 +0.048 A ATOM 13 C LIG 1 -1.603 1.103 -0.348 0.00 0.00 +0.010 A ATOM 14 C LIG 1 -0.205 1.309 -0.629 0.00 0.00 +0.044 A ATOM 15 C LIG 1 -0.111 2.566 -1.211 0.00 0.00 +0.095 A ATOM 16 C LIG 1 -2.381 0.084 0.246 0.00 0.00 +0.011 A ATOM 17 N LIG 1 -1.359 3.106 -1.311 0.00 0.00 -0.360 N ATOM 18 H LIG 1 -1.578 4.013 -1.701 0.00 0.00 +0.165 HD ATOM 19 C LIG 1 -3.776 0.223 0.355 0.00 0.00 +0.011 A BRANCH 10 23 ATOM 20 C LIG 1 -9.271 0.662 0.787 0.00 0.00 +0.150 C ATOM 21 N LIG 1 -8.003 1.216 0.388 0.00 0.00 -0.339 N ATOM 22 C LIG 1 -6.782 0.614 0.506 0.00 0.00 +0.115 A ATOM 23 C LIG 1 -5.879 1.525 -0.004 0.00 0.00 +0.089 A ATOM 24 N LIG 1 -6.543 2.660 -0.425 0.00 0.00 -0.236 NA ATOM 25 C LIG 1 -7.814 2.442 -0.176 0.00 0.00 +0.199 A ENDBRANCH 10 23 ENDBRANCH 8 14 ENDBRANCH 1 8 BRANCH 1 26 ATOM 26 N LIG 1 2.150 -1.588 0.471 0.00 0.00 -0.303 NA ATOM 27 H LIG 1 2.603 -0.863 1.036 0.00 0.00 +0.123 HD BRANCH 26 28 ATOM 28 C LIG 1 3.076 -1.943 -0.615 0.00 0.00 +0.086 C BRANCH 28 29 ATOM 29 C LIG 1 4.472 -2.311 -0.075 0.00 0.00 +0.050 C BRANCH 29 30 ATOM 30 C LIG 1 5.182 -1.201 0.669 0.00 0.00 -0.046 A ATOM 31 C LIG 1 5.417 0.041 0.064 0.00 0.00 +0.004 A ATOM 32 C LIG 1 6.068 1.064 0.760 0.00 0.00 +0.013 A ATOM 33 C LIG 1 6.497 0.854 2.075 0.00 0.00 +0.037 A ATOM 34 C LIG 1 6.293 -0.393 2.675 0.00 0.00 +0.013 A ATOM 35 C LIG 1 5.637 -1.411 1.978 0.00 0.00 +0.004 A BRANCH 33 36 ATOM 36 C LIG 1 7.186 1.913 2.860 0.00 0.00 +0.242 C ATOM 37 O LIG 1 7.893 1.647 3.823 0.00 0.00 -0.270 OA ATOM 38 N LIG 1 6.965 3.212 2.493 0.00 0.00 -0.325 N ATOM 39 H LIG 1 6.175 3.473 1.920 0.00 0.00 +0.145 HD ATOM 40 H LIG 1 7.329 3.913 3.126 0.00 0.00 +0.145 HD ENDBRANCH 33 36 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 1 26 TORSDOF 9