REMARK Name = BDB038664 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.987 0.613 -1.598 0.00 0.00 -0.015 A ATOM 2 C LIG 1 -2.675 0.577 -1.082 0.00 0.00 +0.032 A ATOM 3 C LIG 1 -1.692 -0.294 -1.581 0.00 0.00 +0.038 A ATOM 4 C LIG 1 -2.036 -1.105 -2.666 0.00 0.00 +0.023 A ATOM 5 C LIG 1 -3.319 -1.066 -3.217 0.00 0.00 +0.002 A ATOM 6 C LIG 1 -4.289 -0.220 -2.683 0.00 0.00 +0.008 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -0.407 -0.349 -0.975 0.00 0.00 -0.263 N ATOM 8 C LIG 1 0.672 -1.148 -1.372 0.00 0.00 +0.251 C ATOM 9 O LIG 1 0.785 -1.932 -2.297 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 1.763 -0.900 -0.420 0.00 0.00 +0.042 A ATOM 11 C LIG 1 1.323 0.019 0.523 0.00 0.00 -0.018 A ATOM 12 C LIG 1 2.159 0.429 1.546 0.00 0.00 +0.006 A ATOM 13 C LIG 1 3.452 -0.108 1.598 0.00 0.00 +0.005 A ATOM 14 C LIG 1 3.897 -1.050 0.640 0.00 0.00 -0.033 A ATOM 15 C LIG 1 3.034 -1.446 -0.393 0.00 0.00 +0.018 A ATOM 16 C LIG 1 -0.080 0.420 0.223 0.00 0.00 +0.149 C BRANCH 14 17 ATOM 17 C LIG 1 5.303 -1.601 0.706 0.00 0.00 +0.116 C BRANCH 17 18 ATOM 18 N LIG 1 6.167 -0.897 -0.233 0.00 0.00 -0.312 NA ATOM 19 H LIG 1 6.169 0.098 -0.020 0.00 0.00 +0.122 HD BRANCH 18 20 ATOM 20 C LIG 1 7.534 -1.401 -0.246 0.00 0.00 +0.084 C BRANCH 20 21 ATOM 21 C LIG 1 8.287 -0.961 0.973 0.00 0.00 +0.003 C ATOM 22 C LIG 1 8.714 0.476 1.143 0.00 0.00 +0.005 C ATOM 23 C LIG 1 9.744 -0.585 0.872 0.00 0.00 +0.005 C ENDBRANCH 20 21 ENDBRANCH 18 20 ENDBRANCH 17 18 ENDBRANCH 14 17 ENDBRANCH 3 7 BRANCH 1 25 ATOM 24 C LIG 1 -5.316 1.507 0.385 0.00 0.00 +0.028 A ATOM 25 C LIG 1 -5.018 1.493 -1.002 0.00 0.00 -0.007 A ATOM 26 C LIG 1 -5.727 2.379 -1.838 0.00 0.00 +0.010 A ATOM 27 C LIG 1 -6.689 3.256 -1.327 0.00 0.00 +0.019 A ATOM 28 C LIG 1 -6.962 3.274 0.040 0.00 0.00 +0.052 A ATOM 29 C LIG 1 -6.274 2.406 0.891 0.00 0.00 +0.031 A BRANCH 24 32 ATOM 30 C LIG 1 -5.515 -1.623 0.626 0.00 0.00 +0.152 C ATOM 31 N LIG 1 -4.716 -0.729 1.421 0.00 0.00 -0.317 N ATOM 32 C LIG 1 -4.638 0.640 1.349 0.00 0.00 +0.164 A ATOM 33 N LIG 1 -3.823 1.055 2.303 0.00 0.00 -0.129 NA ATOM 34 N LIG 1 -3.337 -0.044 2.970 0.00 0.00 -0.138 NA ATOM 35 C LIG 1 -3.884 -1.107 2.430 0.00 0.00 +0.225 A ENDBRANCH 24 32 BRANCH 28 36 ATOM 36 C LIG 1 -7.941 4.178 0.568 0.00 0.00 +0.099 C ATOM 37 N LIG 1 -8.743 4.904 0.989 0.00 0.00 -0.191 NA ENDBRANCH 28 36 ENDBRANCH 1 25 TORSDOF 8