REMARK Name = LIG001681 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -0.489 -1.787 -1.727 0.00 0.00 -0.267 OA ATOM 2 C LIG 1 -0.458 -0.637 -1.289 0.00 0.00 +0.266 A ATOM 3 N LIG 1 0.616 0.217 -1.502 0.00 0.00 -0.256 N ATOM 4 C LIG 1 0.646 1.558 -1.127 0.00 0.00 +0.333 A ATOM 5 O LIG 1 1.579 2.309 -1.425 0.00 0.00 -0.246 OA ATOM 6 N LIG 1 -0.460 2.001 -0.401 0.00 0.00 -0.297 N ATOM 7 C LIG 1 -1.541 1.193 -0.142 0.00 0.00 +0.106 A ATOM 8 C LIG 1 -1.611 -0.091 -0.518 0.00 0.00 +0.081 A ENDROOT BRANCH 8 9 ATOM 9 C LIG 1 -2.811 -0.891 -0.188 0.00 0.00 +0.078 A ATOM 10 N LIG 1 -3.978 -0.197 -0.092 0.00 0.00 -0.255 NA ATOM 11 C LIG 1 -5.101 -0.885 0.215 0.00 0.00 +0.111 A ATOM 12 C LIG 1 -5.130 -2.247 0.449 0.00 0.00 +0.020 A ATOM 13 C LIG 1 -3.934 -2.946 0.364 0.00 0.00 +0.004 A ATOM 14 C LIG 1 -2.761 -2.263 0.046 0.00 0.00 +0.028 A ENDBRANCH 8 9 BRANCH 6 15 ATOM 15 C LIG 1 -0.534 3.381 0.026 0.00 0.00 +0.092 C ATOM 16 C LIG 1 -0.893 3.778 1.439 0.00 0.00 +0.027 C ATOM 17 C LIG 1 0.506 3.974 0.946 0.00 0.00 +0.027 C ENDBRANCH 6 15 BRANCH 3 18 ATOM 18 C LIG 1 1.774 -0.311 -2.208 0.00 0.00 +0.165 C BRANCH 18 19 ATOM 19 C LIG 1 2.781 -0.923 -1.257 0.00 0.00 -0.028 A ATOM 20 C LIG 1 2.721 -2.287 -0.935 0.00 0.00 +0.005 A ATOM 21 C LIG 1 3.637 -2.845 -0.042 0.00 0.00 +0.000 A ATOM 22 C LIG 1 4.618 -2.047 0.542 0.00 0.00 +0.000 A ATOM 23 C LIG 1 4.684 -0.689 0.236 0.00 0.00 +0.000 A ATOM 24 C LIG 1 3.769 -0.129 -0.657 0.00 0.00 +0.005 A ENDBRANCH 18 19 ENDBRANCH 3 18 TORSDOF 4