REMARK Name = BDB062915 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -4.343 1.326 1.745 0.00 0.00 -0.287 OA ATOM 2 C LIG 1 -3.386 0.938 1.110 0.00 0.00 +0.194 C ATOM 3 C LIG 1 -2.335 1.778 0.500 0.00 0.00 +0.031 A ATOM 4 C LIG 1 -2.237 3.159 0.507 0.00 0.00 +0.012 A ATOM 5 C LIG 1 -1.142 3.726 -0.144 0.00 0.00 +0.001 A ATOM 6 C LIG 1 -0.181 2.907 -0.761 0.00 0.00 +0.014 A ATOM 7 C LIG 1 -0.302 1.505 -0.730 0.00 0.00 +0.045 A ATOM 8 C LIG 1 -1.401 0.924 -0.115 0.00 0.00 +0.006 A ATOM 9 C LIG 1 -1.841 -0.451 0.057 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -1.319 -1.655 -0.384 0.00 0.00 +0.009 A ATOM 11 C LIG 1 -1.990 -2.842 -0.050 0.00 0.00 +0.001 A ATOM 12 C LIG 1 -3.174 -2.822 0.710 0.00 0.00 +0.001 A ATOM 13 C LIG 1 -3.715 -1.614 1.146 0.00 0.00 +0.012 A ATOM 14 C LIG 1 -3.034 -0.461 0.803 0.00 0.00 +0.030 A ENDROOT BRANCH 7 15 ATOM 15 C LIG 1 0.756 0.707 -1.366 0.00 0.00 +0.247 C ATOM 16 N LIG 1 1.739 0.161 -0.552 0.00 0.00 -0.295 N ATOM 17 C LIG 1 1.843 0.370 0.897 0.00 0.00 +0.123 C ATOM 18 C LIG 1 3.257 0.079 1.432 0.00 0.00 +0.100 C ATOM 19 N LIG 1 3.786 -1.252 1.097 0.00 0.00 -0.313 NA ATOM 20 H LIG 1 3.546 -1.918 1.831 0.00 0.00 +0.122 HD ATOM 21 C LIG 1 3.270 -1.759 -0.187 0.00 0.00 +0.100 C ATOM 22 C LIG 1 2.777 -0.674 -1.160 0.00 0.00 +0.123 C ATOM 23 O LIG 1 0.711 0.568 -2.584 0.00 0.00 -0.270 OA ENDBRANCH 7 15 TORSDOF 1