REMARK Name = LIG000576 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.458 -0.468 0.293 0.00 0.00 +0.219 A ATOM 2 N LIG 1 -3.128 0.663 0.009 0.00 0.00 -0.195 NA ATOM 3 C LIG 1 -2.313 1.666 -0.350 0.00 0.00 +0.167 A ATOM 4 C LIG 1 -0.937 1.611 -0.480 0.00 0.00 +0.148 A ATOM 5 N LIG 1 -0.427 2.833 -0.864 0.00 0.00 -0.231 NA ATOM 6 C LIG 1 -1.479 3.616 -0.966 0.00 0.00 +0.201 A ATOM 7 C LIG 1 -0.326 0.378 -0.199 0.00 0.00 +0.152 A ATOM 8 N LIG 1 -2.644 2.959 -0.659 0.00 0.00 -0.312 N ATOM 9 N LIG 1 -1.128 -0.647 0.194 0.00 0.00 -0.197 NA ENDROOT BRANCH 8 10 ATOM 10 C LIG 1 -3.967 3.566 -0.645 0.00 0.00 +0.084 C ATOM 11 C LIG 1 -4.909 2.934 -1.669 0.00 0.00 +0.030 C ATOM 12 C LIG 1 -4.583 3.572 0.754 0.00 0.00 +0.030 C ENDBRANCH 8 10 BRANCH 1 13 ATOM 13 N LIG 1 -3.155 -1.587 0.693 0.00 0.00 -0.308 N ATOM 14 H LIG 1 -2.555 -2.392 0.548 0.00 0.00 +0.149 HD BRANCH 13 15 ATOM 15 CA LIG 1 -4.575 -1.746 0.366 0.00 0.00 +0.098 C BRANCH 15 17 ATOM 16 C LIG 1 -6.614 -3.021 1.248 0.00 0.00 +0.006 C ATOM 17 C LIG 1 -5.095 -2.921 1.217 0.00 0.00 +0.021 C ENDBRANCH 15 17 BRANCH 15 18 ATOM 18 C LIG 1 -4.771 -2.007 -1.147 0.00 0.00 +0.178 C BRANCH 18 19 ATOM 19 O LIG 1 -4.768 -0.799 -1.908 0.00 0.00 -0.393 OA ATOM 20 H LIG 1 -4.133 -0.190 -1.482 0.00 0.00 +0.209 HD ENDBRANCH 18 19 ENDBRANCH 15 18 ENDBRANCH 13 15 ENDBRANCH 1 13 BRANCH 7 21 ATOM 21 N LIG 1 1.057 0.203 -0.323 0.00 0.00 -0.323 N ATOM 22 H LIG 1 1.518 1.111 -0.359 0.00 0.00 +0.148 HD BRANCH 21 23 ATOM 23 C LIG 1 1.631 -0.728 0.630 0.00 0.00 +0.138 C BRANCH 23 24 ATOM 24 C LIG 1 3.136 -0.715 0.489 0.00 0.00 -0.030 A ATOM 25 C LIG 1 3.947 -0.170 1.489 0.00 0.00 +0.006 A ATOM 26 C LIG 1 5.340 -0.160 1.345 0.00 0.00 +0.010 A ATOM 27 C LIG 1 5.968 -0.679 0.198 0.00 0.00 +0.000 A ATOM 28 C LIG 1 5.138 -1.226 -0.796 0.00 0.00 +0.010 A ATOM 29 C LIG 1 3.745 -1.240 -0.656 0.00 0.00 +0.006 A BRANCH 27 30 ATOM 30 C LIG 1 7.441 -0.647 0.067 0.00 0.00 +0.071 A ATOM 31 N LIG 1 8.141 -0.733 1.231 0.00 0.00 -0.252 NA ATOM 32 C LIG 1 9.494 -0.712 1.159 0.00 0.00 +0.149 A ATOM 33 C LIG 1 10.194 -0.600 -0.026 0.00 0.00 +0.141 A ATOM 34 F LIG 1 11.532 -0.582 -0.033 0.00 0.00 -0.204 F ATOM 35 C LIG 1 9.486 -0.502 -1.210 0.00 0.00 +0.042 A ATOM 36 C LIG 1 8.091 -0.524 -1.166 0.00 0.00 +0.031 A ENDBRANCH 27 30 ENDBRANCH 23 24 ENDBRANCH 21 23 ENDBRANCH 7 21 TORSDOF 10