REMARK Name = BDB052328 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.925 -4.340 1.756 0.00 0.00 -0.271 N ATOM 2 N LIG 1 -0.762 -3.683 1.639 0.00 0.00 -0.171 NA ATOM 3 C LIG 1 -0.937 -2.861 0.588 0.00 0.00 +0.100 A ATOM 4 C LIG 1 -2.258 -3.009 0.053 0.00 0.00 +0.028 A ATOM 5 C LIG 1 -2.853 -3.981 0.828 0.00 0.00 +0.117 A ENDROOT BRANCH 4 6 ATOM 6 C LIG 1 -2.950 -2.335 -1.022 0.00 0.00 -0.002 A ATOM 7 C LIG 1 -3.096 -0.934 -1.001 0.00 0.00 +0.027 A ATOM 8 C LIG 1 -3.758 -0.360 -2.081 0.00 0.00 +0.139 A ATOM 9 N LIG 1 -3.800 0.993 -1.886 0.00 0.00 -0.342 N ATOM 10 H LIG 1 -4.238 1.632 -2.531 0.00 0.00 +0.167 HD ATOM 11 C LIG 1 -3.189 1.320 -0.699 0.00 0.00 +0.032 A ATOM 12 N LIG 1 -4.283 -0.985 -3.152 0.00 0.00 -0.237 NA ATOM 13 C LIG 1 -4.125 -2.327 -3.110 0.00 0.00 +0.114 A ATOM 14 C LIG 1 -2.747 0.137 -0.131 0.00 0.00 +0.034 A ATOM 15 C LIG 1 -3.489 -3.038 -2.103 0.00 0.00 +0.029 A BRANCH 11 16 ATOM 16 C LIG 1 -3.080 2.731 -0.222 0.00 0.00 +0.137 C BRANCH 16 17 ATOM 17 N LIG 1 -3.876 2.953 0.992 0.00 0.00 -0.303 NA ATOM 18 C LIG 1 -3.507 4.228 1.608 0.00 0.00 +0.105 C ATOM 19 C LIG 1 -5.313 2.928 0.719 0.00 0.00 +0.105 C ENDBRANCH 16 17 ENDBRANCH 11 16 ENDBRANCH 4 6 BRANCH 3 20 ATOM 20 C LIG 1 0.149 -1.983 0.144 0.00 0.00 +0.003 A ATOM 21 C LIG 1 0.991 -1.375 1.084 0.00 0.00 +0.012 A ATOM 22 C LIG 1 2.025 -0.520 0.681 0.00 0.00 +0.024 A ATOM 23 C LIG 1 2.244 -0.266 -0.673 0.00 0.00 +0.035 A ATOM 24 C LIG 1 1.409 -0.878 -1.616 0.00 0.00 +0.024 A ATOM 25 C LIG 1 0.376 -1.733 -1.213 0.00 0.00 +0.012 A BRANCH 23 26 ATOM 26 N LIG 1 3.250 0.591 -1.165 0.00 0.00 -0.269 N ATOM 27 H LIG 1 3.315 0.658 -2.168 0.00 0.00 +0.156 HD ATOM 28 C LIG 1 4.268 1.206 -0.448 0.00 0.00 +0.308 C ATOM 29 N LIG 1 4.984 2.058 -1.278 0.00 0.00 -0.269 N ATOM 30 H LIG 1 4.546 2.289 -2.156 0.00 0.00 +0.156 HD ATOM 31 O LIG 1 4.499 1.026 0.740 0.00 0.00 -0.252 OA BRANCH 29 32 ATOM 32 C LIG 1 6.152 2.785 -0.965 0.00 0.00 +0.035 A ATOM 33 C LIG 1 6.881 2.622 0.215 0.00 0.00 +0.023 A ATOM 34 C LIG 1 8.036 3.376 0.445 0.00 0.00 +0.002 A ATOM 35 C LIG 1 8.475 4.296 -0.504 0.00 0.00 +0.000 A ATOM 36 C LIG 1 7.760 4.462 -1.686 0.00 0.00 +0.002 A ATOM 37 C LIG 1 6.606 3.709 -1.916 0.00 0.00 +0.023 A ENDBRANCH 29 32 ENDBRANCH 23 26 ENDBRANCH 3 20 BRANCH 1 39 ATOM 38 C LIG 1 -1.530 -6.674 2.437 0.00 0.00 +0.029 C ATOM 39 C LIG 1 -2.092 -5.316 2.816 0.00 0.00 +0.140 C ENDBRANCH 1 39 TORSDOF 7