REMARK Name = LIG001324 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -0.702 1.511 2.184 0.00 0.00 -0.267 OA ATOM 2 C LIG 1 -0.396 0.824 1.208 0.00 0.00 +0.266 A ATOM 3 N LIG 1 -0.315 -0.561 1.265 0.00 0.00 -0.256 N ATOM 4 C LIG 1 0.067 -1.375 0.203 0.00 0.00 +0.333 A ATOM 5 O LIG 1 0.179 -2.598 0.314 0.00 0.00 -0.246 OA ATOM 6 N LIG 1 0.323 -0.718 -0.993 0.00 0.00 -0.295 N ATOM 7 C LIG 1 0.237 0.651 -1.114 0.00 0.00 +0.106 A ATOM 8 C LIG 1 -0.089 1.465 -0.101 0.00 0.00 +0.081 A ENDROOT BRANCH 8 9 ATOM 9 C LIG 1 -0.148 2.926 -0.324 0.00 0.00 +0.078 A ATOM 10 N LIG 1 -0.475 3.320 -1.586 0.00 0.00 -0.255 NA ATOM 11 C LIG 1 -0.538 4.646 -1.842 0.00 0.00 +0.111 A ATOM 12 C LIG 1 -0.277 5.625 -0.901 0.00 0.00 +0.020 A ATOM 13 C LIG 1 0.072 5.219 0.379 0.00 0.00 +0.004 A ATOM 14 C LIG 1 0.140 3.857 0.672 0.00 0.00 +0.028 A ENDBRANCH 8 9 BRANCH 3 15 ATOM 15 C LIG 1 -0.650 -1.211 2.525 0.00 0.00 +0.165 C BRANCH 15 16 ATOM 16 C LIG 1 -2.119 -1.571 2.608 0.00 0.00 -0.028 A ATOM 17 C LIG 1 -3.052 -0.653 3.111 0.00 0.00 +0.005 A ATOM 18 C LIG 1 -4.408 -0.979 3.170 0.00 0.00 +0.000 A ATOM 19 C LIG 1 -4.847 -2.224 2.724 0.00 0.00 +0.000 A ATOM 20 C LIG 1 -3.931 -3.143 2.216 0.00 0.00 +0.000 A ATOM 21 C LIG 1 -2.575 -2.818 2.155 0.00 0.00 +0.005 A ENDBRANCH 15 16 ENDBRANCH 3 15 BRANCH 6 22 ATOM 22 C LIG 1 0.734 -1.506 -2.159 0.00 0.00 +0.161 C BRANCH 22 23 ATOM 23 C LIG 1 2.234 -1.506 -2.354 0.00 0.00 -0.028 A ATOM 24 C LIG 1 2.834 -0.657 -3.295 0.00 0.00 +0.005 A ATOM 25 C LIG 1 4.221 -0.651 -3.459 0.00 0.00 +0.000 A ATOM 26 C LIG 1 5.020 -1.489 -2.684 0.00 0.00 +0.000 A ATOM 27 C LIG 1 4.435 -2.334 -1.744 0.00 0.00 +0.000 A ATOM 28 C LIG 1 3.050 -2.342 -1.577 0.00 0.00 +0.005 A ENDBRANCH 22 23 ENDBRANCH 6 22 TORSDOF 5