REMARK Name = BDB038775 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.579 -2.362 -0.984 0.00 0.00 +0.163 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.137 -1.107 -0.280 0.00 0.00 +0.234 C ATOM 3 N LIG 1 -2.324 -0.625 -0.772 0.00 0.00 -0.302 N ATOM 4 H LIG 1 -2.798 -1.091 -1.545 0.00 0.00 +0.150 HD ATOM 5 O LIG 1 -0.569 -0.591 0.686 0.00 0.00 -0.274 OA BRANCH 3 6 ATOM 6 C LIG 1 -2.969 0.563 -0.214 0.00 0.00 +0.163 C BRANCH 6 7 ATOM 7 C LIG 1 -4.462 0.500 -0.584 0.00 0.00 +0.231 C ATOM 8 O LIG 1 -4.899 -0.180 -1.510 0.00 0.00 -0.274 OA ATOM 9 N LIG 1 -5.310 1.251 0.177 0.00 0.00 -0.328 N ATOM 10 H LIG 1 -4.973 2.003 0.767 0.00 0.00 +0.145 HD ATOM 11 H LIG 1 -6.275 1.296 -0.125 0.00 0.00 +0.145 HD ENDBRANCH 6 7 BRANCH 6 12 ATOM 12 C LIG 1 -2.316 1.846 -0.758 0.00 0.00 +0.067 C BRANCH 12 13 ATOM 13 C LIG 1 -2.673 3.088 0.025 0.00 0.00 -0.045 A ATOM 14 C LIG 1 -3.489 4.077 -0.540 0.00 0.00 +0.004 A ATOM 15 C LIG 1 -3.836 5.211 0.197 0.00 0.00 +0.000 A ATOM 16 C LIG 1 -3.368 5.367 1.500 0.00 0.00 +0.000 A ATOM 17 C LIG 1 -2.547 4.394 2.067 0.00 0.00 +0.000 A ATOM 18 C LIG 1 -2.198 3.260 1.333 0.00 0.00 +0.004 A ENDBRANCH 12 13 ENDBRANCH 6 12 ENDBRANCH 3 6 ENDBRANCH 1 2 BRANCH 1 20 ATOM 19 C LIG 1 1.737 -1.754 -1.571 0.00 0.00 +0.230 C ATOM 20 N LIG 1 0.860 -2.372 -0.701 0.00 0.00 -0.302 N ATOM 21 H LIG 1 1.101 -2.315 0.282 0.00 0.00 +0.150 HD ATOM 22 O LIG 1 1.416 -1.377 -2.697 0.00 0.00 -0.274 OA BRANCH 19 23 ATOM 23 C LIG 1 3.151 -1.525 -0.991 0.00 0.00 +0.138 C BRANCH 23 24 ATOM 24 N LIG 1 4.143 -1.681 -2.067 0.00 0.00 -0.320 NA ATOM 25 H LIG 1 3.753 -1.256 -2.914 0.00 0.00 +0.119 HD ATOM 26 H LIG 1 4.993 -1.165 -1.857 0.00 0.00 +0.119 HD ENDBRANCH 23 24 BRANCH 23 27 ATOM 27 C LIG 1 3.186 -0.136 -0.334 0.00 0.00 +0.029 C BRANCH 27 28 ATOM 28 C LIG 1 4.444 0.106 0.504 0.00 0.00 +0.023 C BRANCH 28 29 ATOM 29 C LIG 1 4.392 1.475 1.192 0.00 0.00 +0.119 C BRANCH 29 30 ATOM 30 N LIG 1 5.630 1.709 1.945 0.00 0.00 -0.346 N ATOM 31 C LIG 1 5.661 1.089 3.273 0.00 0.00 +0.146 C BRANCH 30 32 ATOM 32 C LIG 1 6.324 2.879 1.796 0.00 0.00 +0.192 C ATOM 33 N LIG 1 5.816 4.039 1.555 0.00 0.00 -0.268 NA ATOM 34 H LIG 1 4.800 3.954 1.528 0.00 0.00 +0.190 HD BRANCH 32 36 ATOM 35 C LIG 1 8.448 1.751 1.321 0.00 0.00 +0.142 C ATOM 36 N LIG 1 7.672 2.807 1.933 0.00 0.00 -0.359 N ATOM 37 H LIG 1 8.056 3.728 1.741 0.00 0.00 +0.162 HD ENDBRANCH 32 36 ENDBRANCH 30 32 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 23 27 ENDBRANCH 19 23 ENDBRANCH 1 20 BRANCH 1 38 ATOM 38 C LIG 1 -1.241 -3.633 -0.434 0.00 0.00 +0.067 C BRANCH 38 39 ATOM 39 C LIG 1 -2.600 -3.897 -1.037 0.00 0.00 -0.045 A ATOM 40 C LIG 1 -3.771 -3.561 -0.340 0.00 0.00 +0.010 A ATOM 41 C LIG 1 -5.038 -3.746 -0.916 0.00 0.00 -0.009 A ATOM 42 C LIG 1 -6.262 -3.344 -0.147 0.00 0.00 +0.047 C ATOM 43 C LIG 1 -5.109 -4.281 -2.207 0.00 0.00 +0.120 A ATOM 44 C LIG 1 -3.957 -4.641 -2.900 0.00 0.00 +0.046 A ATOM 45 C LIG 1 -2.704 -4.445 -2.321 0.00 0.00 +0.007 A BRANCH 43 46 ATOM 46 O LIG 1 -6.291 -4.478 -2.862 0.00 0.00 -0.507 OA ATOM 47 H LIG 1 -6.991 -3.998 -2.393 0.00 0.00 +0.292 HD ENDBRANCH 43 46 ENDBRANCH 38 39 ENDBRANCH 1 38 TORSDOF 17