REMARK Name = BDB043795 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.327 1.774 -0.293 0.00 0.00 +0.165 C ENDROOT BRANCH 1 4 ATOM 2 N LIG 1 -2.006 1.113 0.113 0.00 0.00 -0.308 N ATOM 3 H LIG 1 -2.103 2.022 0.550 0.00 0.00 +0.149 HD ATOM 4 C LIG 1 -0.781 0.701 -0.363 0.00 0.00 +0.234 C ATOM 5 O LIG 1 -0.611 -0.385 -0.918 0.00 0.00 -0.274 OA BRANCH 2 6 ATOM 6 C LIG 1 -3.222 0.296 0.021 0.00 0.00 +0.105 C BRANCH 6 7 ATOM 7 C LIG 1 -3.813 0.182 1.446 0.00 0.00 +0.028 C BRANCH 7 8 ATOM 8 C LIG 1 -5.028 -0.757 1.590 0.00 0.00 -0.009 C ATOM 9 C LIG 1 -4.698 -2.202 1.161 0.00 0.00 +0.003 C ATOM 10 C LIG 1 -5.576 -3.261 1.833 0.00 0.00 +0.000 C ATOM 11 C LIG 1 -6.946 -2.714 2.210 0.00 0.00 +0.000 C ATOM 12 C LIG 1 -6.835 -1.549 3.195 0.00 0.00 +0.000 C ATOM 13 C LIG 1 -5.551 -0.731 3.033 0.00 0.00 +0.003 C ENDBRANCH 7 8 ENDBRANCH 6 7 BRANCH 6 14 ATOM 14 C LIG 1 -4.218 0.923 -0.997 0.00 0.00 +0.175 C BRANCH 14 20 ATOM 15 C LIG 1 -4.219 1.404 -5.925 0.00 0.00 +0.019 C ATOM 16 C LIG 1 -4.113 0.961 -4.668 0.00 0.00 +0.033 C ATOM 17 C LIG 1 -3.385 -0.270 -4.288 0.00 0.00 +0.335 C ATOM 18 O LIG 1 -2.964 -1.132 -5.035 0.00 0.00 -0.245 OA ATOM 19 O LIG 1 -3.288 -0.278 -2.928 0.00 0.00 -0.455 OA ATOM 20 C LIG 1 -3.640 1.016 -2.420 0.00 0.00 +0.211 C ATOM 21 C LIG 1 -4.621 1.589 -3.426 0.00 0.00 +0.089 C ENDBRANCH 14 20 BRANCH 14 22 ATOM 22 O LIG 1 -4.588 2.240 -0.554 0.00 0.00 -0.386 OA ATOM 23 H LIG 1 -5.557 2.313 -0.621 0.00 0.00 +0.210 HD ENDBRANCH 14 22 ENDBRANCH 6 14 ENDBRANCH 2 6 ENDBRANCH 1 4 BRANCH 1 24 ATOM 24 N LIG 1 1.664 1.190 -0.293 0.00 0.00 -0.302 N ATOM 25 H LIG 1 2.284 1.388 -1.075 0.00 0.00 +0.150 HD ATOM 26 C LIG 1 2.133 0.524 0.816 0.00 0.00 +0.234 C ATOM 27 O LIG 1 1.426 0.360 1.815 0.00 0.00 -0.274 OA BRANCH 26 28 ATOM 28 C LIG 1 3.608 0.067 0.783 0.00 0.00 +0.166 C BRANCH 28 29 ATOM 29 N LIG 1 3.834 -0.674 2.021 0.00 0.00 -0.269 N ATOM 30 H LIG 1 3.032 -0.875 2.613 0.00 0.00 +0.153 HD ATOM 31 C LIG 1 5.056 -0.783 2.600 0.00 0.00 +0.401 C ATOM 32 O LIG 1 6.098 -0.392 2.096 0.00 0.00 -0.226 OA BRANCH 31 33 ATOM 33 O LIG 1 4.917 -1.376 3.807 0.00 0.00 -0.445 OA BRANCH 33 34 ATOM 34 C LIG 1 6.071 -1.617 4.654 0.00 0.00 +0.107 C ATOM 35 C LIG 1 7.080 -2.547 3.973 0.00 0.00 +0.055 C ATOM 36 C LIG 1 5.503 -2.330 5.892 0.00 0.00 +0.055 C ATOM 37 C LIG 1 6.715 -0.300 5.104 0.00 0.00 +0.055 C ENDBRANCH 33 34 ENDBRANCH 31 33 ENDBRANCH 28 29 BRANCH 28 38 ATOM 38 C LIG 1 3.961 -0.798 -0.442 0.00 0.00 +0.067 C BRANCH 38 39 ATOM 39 C LIG 1 4.348 0.010 -1.661 0.00 0.00 -0.045 A ATOM 40 C LIG 1 5.475 0.844 -1.633 0.00 0.00 +0.004 A ATOM 41 C LIG 1 5.811 1.624 -2.741 0.00 0.00 +0.000 A ATOM 42 C LIG 1 5.028 1.572 -3.890 0.00 0.00 +0.000 A ATOM 43 C LIG 1 3.920 0.730 -3.939 0.00 0.00 +0.000 A ATOM 44 C LIG 1 3.585 -0.056 -2.835 0.00 0.00 +0.004 A ENDBRANCH 38 39 ENDBRANCH 28 38 ENDBRANCH 26 28 ENDBRANCH 1 24 BRANCH 1 45 ATOM 45 C LIG 1 0.132 2.791 -1.431 0.00 0.00 +0.086 C BRANCH 45 46 ATOM 46 C LIG 1 0.286 2.286 -2.839 0.00 0.00 +0.038 A ATOM 47 N LIG 1 0.039 0.998 -3.267 0.00 0.00 -0.348 N ATOM 48 H LIG 1 -0.243 0.201 -2.700 0.00 0.00 +0.166 HD ATOM 49 C LIG 1 0.199 0.974 -4.625 0.00 0.00 +0.196 A ATOM 50 N LIG 1 0.584 2.140 -5.086 0.00 0.00 -0.244 NA ATOM 51 C LIG 1 0.646 2.960 -3.990 0.00 0.00 +0.133 A ENDBRANCH 45 46 ENDBRANCH 1 45 TORSDOF 16