REMARK Name = BDB035230 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 2.996 0.109 -3.602 0.00 0.00 -0.343 N ATOM 2 H LIG 1 2.935 0.308 -2.594 0.00 0.00 +0.146 HD ENDROOT BRANCH 1 13 ATOM 3 C LIG 1 7.593 -2.848 0.123 0.00 0.00 +0.086 C ATOM 4 C LIG 1 6.608 -2.273 -0.869 0.00 0.00 +0.111 A ATOM 5 N LIG 1 5.761 -1.243 -0.520 0.00 0.00 -0.284 N ATOM 6 C LIG 1 4.762 -0.830 -1.414 0.00 0.00 +0.264 A ATOM 7 O LIG 1 3.865 -0.046 -1.099 0.00 0.00 -0.267 OA ATOM 8 C LIG 1 4.796 -1.377 -2.790 0.00 0.00 +0.086 A ATOM 9 C LIG 1 5.753 -2.363 -3.029 0.00 0.00 +0.080 A ATOM 10 C LIG 1 5.841 -2.942 -4.295 0.00 0.00 +0.029 A ATOM 11 C LIG 1 4.991 -2.533 -5.318 0.00 0.00 +0.004 A ATOM 12 C LIG 1 4.041 -1.540 -5.077 0.00 0.00 +0.024 A ATOM 13 C LIG 1 3.903 -0.954 -3.808 0.00 0.00 +0.042 A ATOM 14 N LIG 1 6.636 -2.810 -2.045 0.00 0.00 -0.234 NA BRANCH 5 15 ATOM 15 C LIG 1 5.730 -0.581 0.801 0.00 0.00 +0.178 C ATOM 16 C LIG 1 5.153 -1.479 1.899 0.00 0.00 +0.242 C ATOM 17 O LIG 1 4.551 -2.528 1.687 0.00 0.00 -0.273 OA ATOM 18 N LIG 1 5.340 -1.026 3.187 0.00 0.00 -0.255 N ATOM 19 H LIG 1 4.969 -1.621 3.916 0.00 0.00 +0.158 HD ATOM 20 C LIG 1 6.198 -0.040 3.608 0.00 0.00 +0.219 C ATOM 21 O LIG 1 6.430 0.128 4.801 0.00 0.00 -0.275 OA ATOM 22 C LIG 1 6.802 0.840 2.536 0.00 0.00 +0.099 C ATOM 23 C LIG 1 7.045 0.059 1.250 0.00 0.00 +0.044 C ENDBRANCH 5 15 ENDBRANCH 1 13 BRANCH 1 24 ATOM 24 C LIG 1 1.679 0.012 -4.228 0.00 0.00 +0.101 C BRANCH 24 25 ATOM 25 C LIG 1 0.755 1.124 -3.720 0.00 0.00 +0.019 C BRANCH 25 26 ATOM 26 C LIG 1 0.251 0.876 -2.294 0.00 0.00 +0.002 C BRANCH 26 27 ATOM 27 C LIG 1 -0.638 2.005 -1.761 0.00 0.00 +0.000 C BRANCH 27 28 ATOM 28 C LIG 1 -1.934 2.256 -2.539 0.00 0.00 +0.001 C BRANCH 28 29 ATOM 29 C LIG 1 -2.868 1.047 -2.680 0.00 0.00 +0.015 C BRANCH 29 30 ATOM 30 C LIG 1 -3.311 0.404 -1.359 0.00 0.00 +0.081 C BRANCH 30 31 ATOM 31 N LIG 1 -4.019 1.371 -0.526 0.00 0.00 -0.310 NA ATOM 32 H LIG 1 -4.812 1.745 -1.048 0.00 0.00 +0.122 HD BRANCH 31 33 ATOM 33 C LIG 1 -4.475 0.898 0.790 0.00 0.00 +0.020 C ATOM 34 C LIG 1 -5.525 -0.236 0.683 0.00 0.00 +0.028 C ATOM 35 C LIG 1 -6.048 -0.639 2.083 0.00 0.00 -0.030 C ATOM 36 C LIG 1 -6.697 0.596 2.748 0.00 0.00 +0.013 C ATOM 37 C LIG 1 -5.671 1.743 2.889 0.00 0.00 -0.030 C ATOM 38 C LIG 1 -4.485 1.251 3.744 0.00 0.00 +0.010 C ATOM 39 C LIG 1 -3.822 0.034 3.084 0.00 0.00 -0.008 C ATOM 40 C LIG 1 -6.328 2.960 3.549 0.00 0.00 +0.011 C ATOM 41 C LIG 1 -7.074 -1.769 1.958 0.00 0.00 +0.011 C ATOM 42 C LIG 1 -4.853 -1.098 2.949 0.00 0.00 +0.010 C ATOM 43 C LIG 1 -5.148 2.114 1.483 0.00 0.00 +0.028 C ATOM 44 C LIG 1 -3.307 0.423 1.688 0.00 0.00 +0.025 C ENDBRANCH 31 33 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 1 24 TORSDOF 11