REMARK Name = BDB008231 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.028 -0.696 -0.171 0.00 0.00 +0.159 C ENDROOT BRANCH 1 4 ATOM 2 N LIG 1 2.296 -2.782 -0.526 0.00 0.00 -0.314 N ATOM 3 H LIG 1 2.791 -2.256 -1.238 0.00 0.00 +0.149 HD ATOM 4 C LIG 1 1.352 -2.146 0.251 0.00 0.00 +0.233 C ATOM 5 O LIG 1 0.806 -2.673 1.221 0.00 0.00 -0.274 OA BRANCH 2 7 ATOM 6 C LIG 1 3.886 -4.077 0.820 0.00 0.00 +0.024 C ATOM 7 C LIG 1 2.775 -4.112 -0.214 0.00 0.00 +0.101 C ENDBRANCH 2 7 ENDBRANCH 1 4 BRANCH 1 8 ATOM 8 N LIG 1 -0.157 -0.294 0.583 0.00 0.00 -0.302 N ATOM 9 H LIG 1 -0.375 -0.907 1.365 0.00 0.00 +0.150 HD ATOM 10 C LIG 1 -1.176 0.427 -0.000 0.00 0.00 +0.237 C ATOM 11 O LIG 1 -1.020 0.998 -1.083 0.00 0.00 -0.273 OA BRANCH 10 12 ATOM 12 C LIG 1 -2.461 0.630 0.874 0.00 0.00 +0.110 C BRANCH 12 13 ATOM 13 N LIG 1 -3.520 1.215 0.019 0.00 0.00 -0.301 N ATOM 14 H LIG 1 -3.463 2.219 -0.095 0.00 0.00 +0.150 HD ATOM 15 C LIG 1 -4.090 0.575 -1.064 0.00 0.00 +0.214 C ATOM 16 O LIG 1 -3.865 -0.581 -1.390 0.00 0.00 -0.276 OA BRANCH 15 17 ATOM 17 C LIG 1 -5.032 1.485 -1.833 0.00 0.00 +0.092 C ATOM 18 C LIG 1 -5.718 0.770 -2.984 0.00 0.00 +0.013 C ENDBRANCH 15 17 ENDBRANCH 12 13 BRANCH 12 19 ATOM 19 C LIG 1 -2.924 -0.624 1.669 0.00 0.00 +0.032 C ATOM 20 C LIG 1 -3.028 -1.958 0.941 0.00 0.00 +0.006 C ENDBRANCH 12 19 BRANCH 12 21 ATOM 21 C LIG 1 -2.050 1.734 1.910 0.00 0.00 +0.032 C ATOM 22 C LIG 1 -3.158 2.185 2.858 0.00 0.00 +0.006 C ENDBRANCH 12 21 ENDBRANCH 10 12 ENDBRANCH 1 8 BRANCH 1 23 ATOM 23 C LIG 1 2.228 0.216 0.116 0.00 0.00 +0.033 C BRANCH 23 24 ATOM 24 C LIG 1 2.037 1.646 -0.400 0.00 0.00 +0.023 C BRANCH 24 25 ATOM 25 C LIG 1 3.294 2.508 -0.257 0.00 0.00 +0.115 C BRANCH 25 26 ATOM 26 N LIG 1 4.280 2.179 -1.276 0.00 0.00 -0.356 N ATOM 27 H LIG 1 3.927 2.333 -2.213 0.00 0.00 +0.162 HD BRANCH 26 28 ATOM 28 C LIG 1 5.209 1.205 -1.177 0.00 0.00 +0.188 C ATOM 29 N LIG 1 5.675 0.551 -2.179 0.00 0.00 -0.269 NA ATOM 30 H LIG 1 5.241 0.890 -3.039 0.00 0.00 +0.190 HD BRANCH 28 31 ATOM 31 N LIG 1 5.668 0.930 0.056 0.00 0.00 -0.370 N ATOM 32 H LIG 1 6.472 0.315 -0.015 0.00 0.00 +0.159 HD ATOM 33 H LIG 1 5.908 1.766 0.573 0.00 0.00 +0.159 HD ENDBRANCH 28 31 ENDBRANCH 26 28 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 1 23 TORSDOF 14