REMARK Name = BDB061379 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.811 4.237 1.486 0.00 0.00 +0.088 C ATOM 2 C LIG 1 -0.027 3.093 1.004 0.00 0.00 +0.130 A ATOM 3 N LIG 1 -1.271 3.382 0.585 0.00 0.00 -0.215 NA ATOM 4 C LIG 1 -1.930 2.289 0.180 0.00 0.00 +0.144 A ATOM 5 C LIG 1 -1.468 0.982 0.173 0.00 0.00 +0.068 A ATOM 6 C LIG 1 -2.512 0.184 -0.399 0.00 0.00 +0.030 A ATOM 7 C LIG 1 -3.579 1.029 -0.655 0.00 0.00 +0.095 A ATOM 8 C LIG 1 -0.174 0.775 0.689 0.00 0.00 +0.132 A ATOM 9 N LIG 1 -3.209 2.299 -0.302 0.00 0.00 -0.345 N ATOM 10 H LIG 1 -3.772 3.133 -0.385 0.00 0.00 +0.167 HD ATOM 11 N LIG 1 0.528 1.864 1.079 0.00 0.00 -0.217 NA ENDROOT BRANCH 6 12 ATOM 12 C LIG 1 -2.551 -1.233 -0.724 0.00 0.00 +0.078 A ATOM 13 N LIG 1 -3.669 -1.890 -0.355 0.00 0.00 -0.215 NA ATOM 14 C LIG 1 -3.725 -3.187 -0.660 0.00 0.00 +0.213 A ATOM 15 N LIG 1 -2.751 -3.875 -1.262 0.00 0.00 -0.223 NA ATOM 16 C LIG 1 -1.657 -3.180 -1.621 0.00 0.00 +0.116 A ATOM 17 C LIG 1 -1.503 -1.839 -1.381 0.00 0.00 +0.048 A BRANCH 14 18 ATOM 18 N LIG 1 -4.852 -3.884 -0.278 0.00 0.00 -0.327 N ATOM 19 H LIG 1 -4.626 -4.862 -0.168 0.00 0.00 +0.145 HD ATOM 20 H LIG 1 -5.296 -3.415 0.499 0.00 0.00 +0.145 HD ENDBRANCH 14 18 ENDBRANCH 6 12 BRANCH 8 21 ATOM 21 N LIG 1 0.377 -0.500 0.808 0.00 0.00 -0.324 N ATOM 22 H LIG 1 -0.329 -1.177 1.075 0.00 0.00 +0.148 HD BRANCH 21 23 ATOM 23 C LIG 1 1.625 -0.634 1.545 0.00 0.00 +0.144 C BRANCH 23 24 ATOM 24 C LIG 1 2.816 -0.382 0.666 0.00 0.00 +0.040 A ATOM 25 C LIG 1 3.059 -1.161 -0.467 0.00 0.00 +0.131 A ATOM 26 F LIG 1 2.233 -2.171 -0.782 0.00 0.00 -0.205 F ATOM 27 C LIG 1 4.163 -0.930 -1.289 0.00 0.00 +0.039 A ATOM 28 C LIG 1 5.055 0.095 -0.980 0.00 0.00 +0.006 A ATOM 29 C LIG 1 4.837 0.875 0.155 0.00 0.00 +0.039 A ATOM 30 C LIG 1 3.729 0.629 0.966 0.00 0.00 +0.131 A ATOM 31 F LIG 1 3.566 1.381 2.064 0.00 0.00 -0.205 F ENDBRANCH 23 24 ENDBRANCH 21 23 ENDBRANCH 8 21 TORSDOF 5