REMARK Name = BDB020203 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.040 -0.271 -0.081 0.00 0.00 +0.082 C ATOM 2 C LIG 1 0.987 1.208 -0.439 0.00 0.00 +0.223 C ATOM 3 O LIG 1 0.016 1.767 -0.940 0.00 0.00 -0.275 OA ATOM 4 N LIG 1 2.131 1.920 -0.164 0.00 0.00 -0.256 N ATOM 5 H LIG 1 2.086 2.899 -0.413 0.00 0.00 +0.157 HD ATOM 6 C LIG 1 3.401 1.405 -0.155 0.00 0.00 +0.219 C ATOM 7 O LIG 1 4.380 2.129 -0.312 0.00 0.00 -0.275 OA ATOM 8 C LIG 1 3.523 -0.082 0.077 0.00 0.00 +0.097 C ATOM 9 C LIG 1 2.373 -0.833 -0.579 0.00 0.00 +0.022 C ENDROOT BRANCH 1 10 ATOM 10 C LIG 1 -0.142 -1.044 -0.681 0.00 0.00 +0.071 C BRANCH 10 15 ATOM 11 C LIG 1 -4.585 0.170 1.282 0.00 0.00 +0.174 C ATOM 12 N LIG 1 -3.291 -0.379 0.979 0.00 0.00 -0.254 N ATOM 13 N LIG 1 -2.718 -1.258 1.816 0.00 0.00 -0.066 NA ATOM 14 N LIG 1 -1.540 -1.587 1.301 0.00 0.00 -0.135 NA ATOM 15 C LIG 1 -1.382 -0.897 0.126 0.00 0.00 +0.084 A ATOM 16 C LIG 1 -2.498 -0.123 -0.096 0.00 0.00 +0.133 A ENDBRANCH 10 15 ENDBRANCH 1 10 TORSDOF 2