REMARK Name = LIG000070 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.777 -1.884 0.127 0.00 0.00 +0.025 A ATOM 2 C LIG 1 3.743 -2.569 0.787 0.00 0.00 +0.038 A ATOM 3 C LIG 1 2.468 -1.986 0.815 0.00 0.00 +0.049 A ATOM 4 N LIG 1 1.300 -2.449 1.372 0.00 0.00 -0.339 N ATOM 5 H LIG 1 1.185 -3.324 1.860 0.00 0.00 +0.167 HD ATOM 6 C LIG 1 0.286 -1.561 1.161 0.00 0.00 +0.145 A ATOM 7 C LIG 1 0.790 -0.476 0.463 0.00 0.00 +0.066 A ATOM 8 C LIG 1 -0.120 0.560 0.172 0.00 0.00 +0.132 A ATOM 9 N LIG 1 -1.405 0.390 0.565 0.00 0.00 -0.216 NA ATOM 10 C LIG 1 -1.777 -0.731 1.227 0.00 0.00 +0.138 A ATOM 11 N LIG 1 -0.971 -1.751 1.579 0.00 0.00 -0.214 NA ATOM 12 C LIG 1 2.180 -0.753 0.224 0.00 0.00 +0.012 A ATOM 13 C LIG 1 3.226 -0.083 -0.446 0.00 0.00 +0.011 A ATOM 14 C LIG 1 4.508 -0.654 -0.484 0.00 0.00 +0.012 A ENDROOT BRANCH 1 18 ATOM 15 C LIG 1 8.633 -4.765 0.624 0.00 0.00 +0.199 C ATOM 16 N LIG 1 7.780 -3.659 0.287 0.00 0.00 -0.166 N ATOM 17 N LIG 1 6.478 -3.629 0.619 0.00 0.00 -0.131 NA ATOM 18 C LIG 1 6.120 -2.452 0.072 0.00 0.00 +0.205 A ATOM 19 N LIG 1 7.173 -1.826 -0.559 0.00 0.00 -0.108 NA ATOM 20 N LIG 1 8.230 -2.612 -0.419 0.00 0.00 -0.046 NA ENDBRANCH 1 18 BRANCH 8 21 ATOM 21 N LIG 1 0.269 1.724 -0.481 0.00 0.00 -0.326 N ATOM 22 H LIG 1 1.245 1.932 -0.311 0.00 0.00 +0.148 HD BRANCH 21 23 ATOM 23 C LIG 1 -0.586 2.908 -0.547 0.00 0.00 +0.072 C ATOM 24 C LIG 1 -0.892 3.507 0.835 0.00 0.00 +0.024 C ATOM 25 C LIG 1 -2.171 4.354 0.849 0.00 0.00 +0.020 C ATOM 26 C LIG 1 -2.405 5.034 -0.500 0.00 0.00 +0.051 C ATOM 27 C LIG 1 -2.614 4.002 -1.621 0.00 0.00 +0.020 C ATOM 28 C LIG 1 -1.837 2.697 -1.403 0.00 0.00 +0.024 C BRANCH 26 29 ATOM 29 N LIG 1 -3.542 5.948 -0.425 0.00 0.00 -0.327 NA ATOM 30 H LIG 1 -4.385 5.432 -0.171 0.00 0.00 +0.118 HD ATOM 31 H LIG 1 -3.725 6.348 -1.345 0.00 0.00 +0.118 HD ENDBRANCH 26 29 ENDBRANCH 21 23 ENDBRANCH 8 21 BRANCH 10 32 ATOM 32 C LIG 1 -3.232 -0.838 1.616 0.00 0.00 +0.111 C BRANCH 32 33 ATOM 33 C LIG 1 -4.086 -1.532 0.580 0.00 0.00 -0.040 A ATOM 34 C LIG 1 -4.328 -2.911 0.664 0.00 0.00 +0.004 A ATOM 35 C LIG 1 -5.106 -3.552 -0.301 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -5.644 -2.825 -1.361 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -5.401 -1.456 -1.461 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -4.623 -0.812 -0.497 0.00 0.00 +0.004 A ENDBRANCH 32 33 ENDBRANCH 10 32 TORSDOF 6