REMARK Name = BDB048510 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.528 0.835 -0.933 0.00 0.00 +0.137 A ATOM 2 N LIG 1 1.295 0.654 -0.552 0.00 0.00 -0.148 NA ATOM 3 N LIG 1 1.013 -0.631 -0.152 0.00 0.00 -0.191 N ATOM 4 C LIG 1 1.899 -1.689 -0.102 0.00 0.00 +0.178 A ATOM 5 N LIG 1 1.301 -2.756 0.371 0.00 0.00 -0.128 NA ATOM 6 N LIG 1 -0.001 -2.413 0.642 0.00 0.00 -0.127 NA ATOM 7 C LIG 1 3.220 -1.460 -0.532 0.00 0.00 +0.053 A ATOM 8 C LIG 1 -0.190 -1.141 0.314 0.00 0.00 +0.185 A ATOM 9 C LIG 1 3.566 -0.237 -0.947 0.00 0.00 +0.049 A ENDROOT BRANCH 8 10 ATOM 10 C LIG 1 -1.456 -0.414 0.464 0.00 0.00 +0.021 A ATOM 11 C LIG 1 -1.787 0.712 -0.303 0.00 0.00 +0.011 A ATOM 12 C LIG 1 -3.012 1.365 -0.130 0.00 0.00 +0.001 A ATOM 13 C LIG 1 -3.928 0.898 0.810 0.00 0.00 +0.000 A ATOM 14 C LIG 1 -3.623 -0.226 1.573 0.00 0.00 +0.001 A ATOM 15 C LIG 1 -2.399 -0.877 1.398 0.00 0.00 +0.011 A ENDBRANCH 8 10 BRANCH 1 16 ATOM 16 N LIG 1 2.862 2.097 -1.334 0.00 0.00 -0.342 N ATOM 17 H LIG 1 2.167 2.786 -1.064 0.00 0.00 +0.144 HD ATOM 18 H LIG 1 3.811 2.404 -1.154 0.00 0.00 +0.144 HD ENDBRANCH 1 16 TORSDOF 2