REMARK Name = BDB023009 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.773 -1.536 1.121 0.00 0.00 +0.119 A ATOM 2 N LIG 1 3.475 -2.845 1.035 0.00 0.00 -0.240 NA ATOM 3 C LIG 1 2.174 -3.185 0.902 0.00 0.00 +0.117 A ATOM 4 C LIG 1 1.132 -2.271 0.841 0.00 0.00 -0.023 A ATOM 5 C LIG 1 -0.293 -2.720 0.715 0.00 0.00 +0.059 C ATOM 6 C LIG 1 -1.207 -1.607 0.174 0.00 0.00 +0.078 C ATOM 7 N LIG 1 -0.992 -0.357 0.924 0.00 0.00 -0.294 N ATOM 8 C LIG 1 0.384 0.155 0.926 0.00 0.00 +0.143 C ATOM 9 C LIG 1 -1.969 0.554 1.308 0.00 0.00 +0.220 C ATOM 10 O LIG 1 -1.667 1.736 1.514 0.00 0.00 -0.275 OA ATOM 11 C LIG 1 -1.020 -1.399 -1.337 0.00 0.00 +0.028 C ATOM 12 C LIG 1 1.447 -0.915 0.961 0.00 0.00 -0.022 A ATOM 13 C LIG 1 2.792 -0.552 1.100 0.00 0.00 +0.049 A ENDROOT BRANCH 9 14 ATOM 14 C LIG 1 -3.418 0.124 1.561 0.00 0.00 +0.085 C ATOM 15 C LIG 1 -4.240 -0.158 0.285 0.00 0.00 +0.045 C ATOM 16 C LIG 1 -5.255 -1.312 0.511 0.00 0.00 +0.093 C ATOM 17 N LIG 1 -5.894 -1.244 1.828 0.00 0.00 -0.305 NA ATOM 18 C LIG 1 -6.990 -2.197 1.959 0.00 0.00 +0.104 C ATOM 19 C LIG 1 -4.954 -1.341 2.950 0.00 0.00 +0.085 C ATOM 20 C LIG 1 -3.503 -1.008 2.591 0.00 0.00 +0.029 C BRANCH 15 21 ATOM 21 C LIG 1 -4.855 1.129 -0.264 0.00 0.00 -0.042 A ATOM 22 C LIG 1 -4.131 1.891 -1.199 0.00 0.00 +0.007 A ATOM 23 C LIG 1 -4.648 3.082 -1.726 0.00 0.00 -0.050 A ATOM 24 C LIG 1 -3.839 3.898 -2.691 0.00 0.00 +0.044 C ATOM 25 C LIG 1 -5.896 3.534 -1.289 0.00 0.00 +0.003 A ATOM 26 C LIG 1 -6.619 2.799 -0.352 0.00 0.00 +0.001 A ATOM 27 C LIG 1 -6.102 1.608 0.159 0.00 0.00 +0.004 A ENDBRANCH 15 21 ENDBRANCH 9 14 BRANCH 1 28 ATOM 28 N LIG 1 5.124 -1.243 1.267 0.00 0.00 -0.326 N ATOM 29 H LIG 1 5.586 -2.151 1.257 0.00 0.00 +0.148 HD BRANCH 28 33 ATOM 30 C LIG 1 7.416 1.044 -1.512 0.00 0.00 +0.118 C ATOM 31 C LIG 1 6.460 0.002 -2.114 0.00 0.00 +0.033 C ATOM 32 C LIG 1 5.859 -0.956 -1.077 0.00 0.00 +0.025 C ATOM 33 C LIG 1 5.716 -0.307 0.305 0.00 0.00 +0.072 C ATOM 34 C LIG 1 7.093 0.126 0.842 0.00 0.00 +0.025 C ATOM 35 C LIG 1 8.095 0.497 -0.258 0.00 0.00 +0.033 C BRANCH 30 37 ATOM 36 C LIG 1 6.537 3.153 -2.189 0.00 0.00 +0.194 C ATOM 37 O LIG 1 6.690 2.218 -1.128 0.00 0.00 -0.380 OA ENDBRANCH 30 37 ENDBRANCH 28 33 ENDBRANCH 1 28 TORSDOF 5