REMARK Name = BDB027771 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.095 0.334 -0.251 0.00 0.00 +0.133 A ATOM 2 C LIG 1 -0.020 1.578 0.408 0.00 0.00 +0.043 A ATOM 3 C LIG 1 1.222 1.887 0.967 0.00 0.00 +0.095 A ATOM 4 C LIG 1 1.312 3.103 1.628 0.00 0.00 +0.139 A ATOM 5 N LIG 1 0.314 4.015 1.769 0.00 0.00 -0.261 NA ATOM 6 C LIG 1 -0.862 3.698 1.202 0.00 0.00 +0.111 A ATOM 7 N LIG 1 2.288 1.080 0.882 0.00 0.00 -0.226 NA ATOM 8 C LIG 1 2.122 -0.064 0.207 0.00 0.00 +0.165 A ATOM 9 C LIG 1 -1.074 2.515 0.520 0.00 0.00 +0.033 A ATOM 10 N LIG 1 0.983 -0.469 -0.370 0.00 0.00 -0.212 NA ENDROOT BRANCH 8 11 ATOM 11 C LIG 1 3.275 -0.930 0.100 0.00 0.00 +0.056 A ATOM 12 C LIG 1 3.313 -2.155 -0.538 0.00 0.00 +0.116 A ATOM 13 N LIG 1 4.586 -2.622 -0.395 0.00 0.00 -0.284 N ATOM 14 H LIG 1 4.977 -3.494 -0.736 0.00 0.00 +0.188 HD ATOM 15 N LIG 1 5.388 -1.791 0.292 0.00 0.00 -0.182 NA ATOM 16 C LIG 1 4.587 -0.763 0.592 0.00 0.00 +0.145 A ENDBRANCH 8 11 BRANCH 1 18 ATOM 17 C LIG 1 -1.119 -1.021 -1.941 0.00 0.00 +0.131 C ATOM 18 N LIG 1 -1.329 -0.104 -0.815 0.00 0.00 -0.312 N BRANCH 18 19 ATOM 19 C LIG 1 -2.458 -0.499 0.103 0.00 0.00 +0.033 C ATOM 20 C LIG 1 -2.286 -0.607 1.608 0.00 0.00 +0.028 C ATOM 21 C LIG 1 -2.398 -1.853 0.789 0.00 0.00 +0.028 C ATOM 22 C LIG 1 -3.822 -0.065 -0.395 0.00 0.00 +0.032 C ENDBRANCH 18 19 ENDBRANCH 1 18 TORSDOF 3