REMARK Name = BDB020830 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.372 0.711 -0.611 0.00 0.00 +0.041 A ATOM 2 C LIG 1 -1.166 1.756 -0.045 0.00 0.00 +0.172 A ATOM 3 N LIG 1 -2.530 1.584 -0.037 0.00 0.00 -0.253 N ATOM 4 C LIG 1 -3.036 2.696 0.572 0.00 0.00 +0.232 A ATOM 5 N LIG 1 -2.059 3.509 0.902 0.00 0.00 -0.137 NA ATOM 6 C LIG 1 -3.171 0.451 -0.552 0.00 0.00 +0.203 A ATOM 7 N LIG 1 -2.444 -0.511 -1.051 0.00 0.00 -0.223 NA ATOM 8 N LIG 1 -0.878 2.914 0.518 0.00 0.00 -0.129 NA ATOM 9 C LIG 1 -1.073 -0.354 -1.067 0.00 0.00 +0.126 A ENDROOT BRANCH 1 15 ATOM 10 O LIG 1 5.885 1.634 -1.720 0.00 0.00 -0.226 OA ATOM 11 C LIG 1 5.280 0.671 -1.261 0.00 0.00 +0.403 C ATOM 12 N LIG 1 3.936 0.701 -0.923 0.00 0.00 -0.263 N ATOM 13 C LIG 1 3.315 -0.335 -0.106 0.00 0.00 +0.116 C ATOM 14 C LIG 1 1.856 -0.560 -0.509 0.00 0.00 +0.054 C ATOM 15 C LIG 1 1.098 0.738 -0.685 0.00 0.00 -0.036 C ATOM 16 C LIG 1 1.790 1.881 -0.868 0.00 0.00 -0.004 C ATOM 17 C LIG 1 3.283 1.998 -0.946 0.00 0.00 +0.138 C BRANCH 11 18 ATOM 18 O LIG 1 5.847 -0.542 -1.031 0.00 0.00 -0.445 OA BRANCH 18 19 ATOM 19 C LIG 1 7.247 -0.645 -1.311 0.00 0.00 +0.269 C BRANCH 19 20 ATOM 20 C LIG 1 8.023 -0.503 -0.027 0.00 0.00 -0.010 A ATOM 21 C LIG 1 8.516 0.748 0.368 0.00 0.00 +0.007 A ATOM 22 C LIG 1 9.216 0.887 1.567 0.00 0.00 +0.000 A ATOM 23 C LIG 1 9.424 -0.222 2.386 0.00 0.00 +0.000 A ATOM 24 C LIG 1 8.928 -1.469 2.009 0.00 0.00 +0.000 A ATOM 25 C LIG 1 8.226 -1.609 0.810 0.00 0.00 +0.007 A ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 11 18 ENDBRANCH 1 15 BRANCH 6 26 ATOM 26 N LIG 1 -4.549 0.382 -0.507 0.00 0.00 -0.310 N ATOM 27 H LIG 1 -5.058 1.259 -0.491 0.00 0.00 +0.149 HD BRANCH 26 28 ATOM 28 C LIG 1 -5.265 -0.662 -1.222 0.00 0.00 +0.143 C BRANCH 28 29 ATOM 29 C LIG 1 -6.700 -0.666 -0.783 0.00 0.00 +0.012 A ATOM 30 C LIG 1 -7.106 -1.219 0.427 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -6.321 -1.941 1.458 0.00 0.00 +0.080 C ATOM 32 C LIG 1 -7.356 -1.969 2.583 0.00 0.00 +0.234 C ATOM 33 O LIG 1 -8.677 -1.812 2.015 0.00 0.00 -0.491 OA ATOM 34 C LIG 1 -8.442 -1.210 0.807 0.00 0.00 +0.124 A ATOM 35 C LIG 1 -9.429 -0.658 0.015 0.00 0.00 +0.049 A ATOM 36 C LIG 1 -9.044 -0.080 -1.194 0.00 0.00 +0.042 A ATOM 37 C LIG 1 -7.696 -0.085 -1.578 0.00 0.00 +0.129 A ATOM 38 F LIG 1 -7.362 0.490 -2.742 0.00 0.00 -0.205 F ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 6 26 TORSDOF 7