REMARK Name = BDB006383 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.053 -4.008 -0.185 0.00 0.00 +0.046 C ATOM 2 C LIG 1 0.590 -2.642 -0.558 0.00 0.00 -0.022 A ATOM 3 C LIG 1 1.195 -1.406 -0.171 0.00 0.00 +0.004 A ATOM 4 C LIG 1 0.442 -0.370 -0.728 0.00 0.00 +0.050 A ATOM 5 C LIG 1 0.772 0.981 -0.519 0.00 0.00 +0.027 A ATOM 6 C LIG 1 1.895 1.280 0.259 0.00 0.00 +0.015 A ATOM 7 C LIG 1 2.675 0.263 0.811 0.00 0.00 +0.037 A ATOM 8 N LIG 1 -0.595 -0.959 -1.435 0.00 0.00 -0.339 N ATOM 9 C LIG 1 2.323 -1.080 0.613 0.00 0.00 +0.023 A ATOM 10 C LIG 1 -0.507 -2.336 -1.350 0.00 0.00 +0.020 A ATOM 11 C LIG 1 -1.480 -3.255 -2.008 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 3.877 0.557 1.640 0.00 0.00 +0.244 C ATOM 13 N LIG 1 4.554 1.719 1.337 0.00 0.00 -0.307 N ATOM 14 H LIG 1 4.356 2.176 0.458 0.00 0.00 +0.149 HD ATOM 15 O LIG 1 4.232 -0.229 2.511 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 5.818 2.039 1.962 0.00 0.00 +0.139 C BRANCH 16 17 ATOM 17 C LIG 1 6.967 1.690 1.052 0.00 0.00 -0.030 A ATOM 18 C LIG 1 7.416 0.367 0.957 0.00 0.00 +0.007 A ATOM 19 C LIG 1 8.470 0.034 0.101 0.00 0.00 +0.023 A ATOM 20 C LIG 1 9.062 1.002 -0.712 0.00 0.00 +0.025 A ATOM 21 C LIG 1 8.649 2.329 -0.579 0.00 0.00 +0.023 A ATOM 22 C LIG 1 7.596 2.670 0.275 0.00 0.00 +0.007 A BRANCH 20 23 ATOM 23 N LIG 1 10.191 0.686 -1.478 0.00 0.00 -0.358 N ATOM 24 H LIG 1 10.230 -0.287 -1.762 0.00 0.00 +0.142 HD ATOM 25 H LIG 1 10.352 1.323 -2.251 0.00 0.00 +0.142 HD ENDBRANCH 20 23 ENDBRANCH 16 17 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 26 ATOM 26 C LIG 1 -1.600 -0.222 -2.203 0.00 0.00 +0.157 C BRANCH 26 27 ATOM 27 C LIG 1 -2.951 -0.179 -1.528 0.00 0.00 -0.028 A ATOM 28 C LIG 1 -3.096 0.236 -0.198 0.00 0.00 +0.006 A ATOM 29 C LIG 1 -4.359 0.296 0.398 0.00 0.00 +0.009 A ATOM 30 C LIG 1 -5.513 -0.047 -0.322 0.00 0.00 -0.017 A ATOM 31 C LIG 1 -5.366 -0.453 -1.655 0.00 0.00 +0.009 A ATOM 32 C LIG 1 -4.104 -0.512 -2.254 0.00 0.00 +0.006 A BRANCH 30 33 ATOM 33 C LIG 1 -6.839 0.003 0.311 0.00 0.00 -0.004 A ATOM 34 C LIG 1 -7.473 1.204 0.690 0.00 0.00 +0.067 A ATOM 35 C LIG 1 -8.703 1.187 1.367 0.00 0.00 +0.015 A ATOM 36 C LIG 1 -9.334 -0.024 1.645 0.00 0.00 +0.001 A ATOM 37 C LIG 1 -8.736 -1.220 1.256 0.00 0.00 +0.001 A ATOM 38 C LIG 1 -7.501 -1.206 0.600 0.00 0.00 +0.009 A BRANCH 34 39 ATOM 39 C LIG 1 -6.892 2.534 0.422 0.00 0.00 +0.337 C ATOM 40 O LIG 1 -6.788 3.439 1.227 0.00 0.00 -0.245 OA BRANCH 39 41 ATOM 41 O LIG 1 -6.569 2.689 -0.873 0.00 0.00 -0.477 OA ATOM 42 H LIG 1 -6.219 3.602 -0.926 0.00 0.00 +0.295 HD ENDBRANCH 39 41 ENDBRANCH 34 39 ENDBRANCH 30 33 ENDBRANCH 26 27 ENDBRANCH 8 26 TORSDOF 9