REMARK Name = BDB024388 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.969 -0.259 -1.148 0.00 0.00 +0.174 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.150 -1.362 -0.154 0.00 0.00 +0.016 A ATOM 3 C LIG 1 -1.353 -2.709 -0.392 0.00 0.00 +0.113 A ATOM 4 N LIG 1 -1.478 -3.302 0.831 0.00 0.00 -0.274 N ATOM 5 C LIG 1 -1.729 -4.697 1.101 0.00 0.00 +0.172 C ATOM 6 N LIG 1 -1.339 -2.445 1.855 0.00 0.00 -0.180 NA ATOM 7 C LIG 1 -1.164 -1.265 1.260 0.00 0.00 +0.140 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 0.330 0.567 -0.898 0.00 0.00 +0.240 C ATOM 9 N LIG 1 1.451 -0.202 -0.672 0.00 0.00 -0.269 N ATOM 10 H LIG 1 1.357 -1.208 -0.601 0.00 0.00 +0.156 HD ATOM 11 O LIG 1 0.319 1.797 -0.986 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 2.762 0.213 -0.455 0.00 0.00 +0.125 A ATOM 13 N LIG 1 3.616 -0.812 -0.257 0.00 0.00 -0.240 NA ATOM 14 C LIG 1 4.920 -0.507 -0.032 0.00 0.00 +0.121 A ATOM 15 C LIG 1 5.435 0.784 0.004 0.00 0.00 +0.003 A ATOM 16 C LIG 1 4.527 1.820 -0.210 0.00 0.00 +0.013 A ATOM 17 C LIG 1 3.177 1.536 -0.441 0.00 0.00 +0.044 A BRANCH 15 18 ATOM 18 C LIG 1 6.846 1.025 0.243 0.00 0.00 +0.021 A ATOM 19 C LIG 1 7.384 2.190 0.753 0.00 0.00 +0.116 A ATOM 20 N LIG 1 8.732 1.991 0.832 0.00 0.00 -0.274 N ATOM 21 C LIG 1 9.723 2.925 1.310 0.00 0.00 +0.172 C ATOM 22 N LIG 1 9.119 0.775 0.410 0.00 0.00 -0.179 NA ATOM 23 C LIG 1 7.973 0.189 0.054 0.00 0.00 +0.143 A ENDBRANCH 15 18 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 24 ATOM 24 N LIG 1 -2.141 0.633 -1.035 0.00 0.00 -0.301 NA ATOM 25 H LIG 1 -1.823 1.587 -1.238 0.00 0.00 +0.123 HD BRANCH 24 26 ATOM 26 C LIG 1 -3.210 0.264 -1.969 0.00 0.00 +0.089 C BRANCH 26 28 ATOM 27 C LIG 1 -4.471 2.448 -1.434 0.00 0.00 +0.014 C ATOM 28 C LIG 1 -4.577 0.939 -1.675 0.00 0.00 +0.030 C BRANCH 28 29 ATOM 29 C LIG 1 -5.352 0.248 -0.560 0.00 0.00 -0.043 A ATOM 30 C LIG 1 -6.615 -0.304 -0.826 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -7.335 -0.958 0.178 0.00 0.00 +0.019 A ATOM 32 C LIG 1 -6.802 -1.069 1.466 0.00 0.00 +0.052 A ATOM 33 C LIG 1 -5.551 -0.517 1.744 0.00 0.00 +0.019 A ATOM 34 C LIG 1 -4.836 0.141 0.740 0.00 0.00 +0.005 A BRANCH 32 35 ATOM 35 C LIG 1 -7.537 -1.749 2.492 0.00 0.00 +0.099 C ATOM 36 N LIG 1 -8.139 -2.303 3.315 0.00 0.00 -0.191 NA ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 9