REMARK Name = BDB002306 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.969 -0.282 0.045 0.00 0.00 +0.237 C ATOM 2 N LIG 1 0.160 0.398 -0.349 0.00 0.00 -0.288 N ATOM 3 C LIG 1 1.452 0.112 0.264 0.00 0.00 +0.162 C ATOM 4 C LIG 1 2.471 0.607 -0.763 0.00 0.00 +0.033 C ATOM 5 C LIG 1 1.740 1.760 -1.445 0.00 0.00 +0.021 C ATOM 6 C LIG 1 0.300 1.271 -1.503 0.00 0.00 +0.109 C ATOM 7 O LIG 1 -0.924 -1.143 0.932 0.00 0.00 -0.274 OA ENDROOT BRANCH 3 8 ATOM 8 C LIG 1 1.626 0.863 1.601 0.00 0.00 +0.234 C ATOM 9 N LIG 1 2.651 0.369 2.384 0.00 0.00 -0.310 N ATOM 10 H LIG 1 3.235 -0.375 2.027 0.00 0.00 +0.149 HD ATOM 11 O LIG 1 0.966 1.851 1.916 0.00 0.00 -0.274 OA BRANCH 9 12 ATOM 12 C LIG 1 3.059 1.022 3.606 0.00 0.00 +0.139 C BRANCH 12 13 ATOM 13 C LIG 1 4.249 1.908 3.357 0.00 0.00 -0.027 A ATOM 14 C LIG 1 4.077 3.187 2.816 0.00 0.00 +0.025 A ATOM 15 C LIG 1 5.199 3.962 2.573 0.00 0.00 +0.111 A ATOM 16 N LIG 1 6.461 3.556 2.824 0.00 0.00 -0.263 NA ATOM 17 C LIG 1 6.607 2.318 3.344 0.00 0.00 +0.111 A ATOM 18 C LIG 1 5.548 1.467 3.620 0.00 0.00 +0.025 A ENDBRANCH 12 13 ENDBRANCH 9 12 ENDBRANCH 3 8 BRANCH 1 19 ATOM 19 C LIG 1 -2.307 0.050 -0.656 0.00 0.00 +0.162 C BRANCH 19 21 ATOM 20 C LIG 1 -2.549 -1.891 -2.159 0.00 0.00 +0.230 C ATOM 21 N LIG 1 -2.887 -1.256 -0.979 0.00 0.00 -0.302 N ATOM 22 H LIG 1 -3.068 -1.853 -0.180 0.00 0.00 +0.150 HD ATOM 23 O LIG 1 -1.895 -1.346 -3.047 0.00 0.00 -0.274 OA BRANCH 20 24 ATOM 24 C LIG 1 -3.015 -3.363 -2.241 0.00 0.00 +0.137 C ATOM 25 C LIG 1 -1.874 -4.239 -1.726 0.00 0.00 +0.034 C BRANCH 24 27 ATOM 26 C LIG 1 -3.804 -5.021 -3.870 0.00 0.00 +0.101 C ATOM 27 N LIG 1 -3.424 -3.641 -3.630 0.00 0.00 -0.309 NA ATOM 28 H LIG 1 -2.666 -3.360 -4.256 0.00 0.00 +0.122 HD ENDBRANCH 24 27 ENDBRANCH 20 24 ENDBRANCH 19 21 BRANCH 19 29 ATOM 29 C LIG 1 -3.238 0.847 0.286 0.00 0.00 +0.012 C ATOM 30 C LIG 1 -2.648 2.214 0.647 0.00 0.00 +0.009 C ATOM 31 C LIG 1 -4.621 1.054 -0.344 0.00 0.00 +0.009 C ENDBRANCH 19 29 ENDBRANCH 1 19 TORSDOF 8