REMARK Name = LIG001024 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.616 0.016 0.225 0.00 0.00 +0.219 A ATOM 2 N LIG 1 -3.121 1.078 -0.423 0.00 0.00 -0.195 NA ATOM 3 C LIG 1 -2.171 1.814 -1.016 0.00 0.00 +0.167 A ATOM 4 C LIG 1 -0.810 1.574 -1.017 0.00 0.00 +0.148 A ATOM 5 N LIG 1 -0.137 2.551 -1.721 0.00 0.00 -0.231 NA ATOM 6 C LIG 1 -1.079 3.365 -2.148 0.00 0.00 +0.201 A ATOM 7 C LIG 1 -0.371 0.437 -0.320 0.00 0.00 +0.152 A ATOM 8 N LIG 1 -2.327 2.961 -1.747 0.00 0.00 -0.312 N ATOM 9 N LIG 1 -1.314 -0.323 0.298 0.00 0.00 -0.197 NA ENDROOT BRANCH 8 10 ATOM 10 C LIG 1 -3.590 3.627 -2.037 0.00 0.00 +0.084 C ATOM 11 C LIG 1 -3.640 5.028 -1.428 0.00 0.00 +0.030 C ATOM 12 C LIG 1 -3.876 3.661 -3.538 0.00 0.00 +0.030 C ENDBRANCH 8 10 BRANCH 1 13 ATOM 13 N LIG 1 -3.567 -0.771 0.870 0.00 0.00 -0.308 N ATOM 14 H LIG 1 -4.451 -0.505 0.448 0.00 0.00 +0.149 HD BRANCH 13 15 ATOM 15 CA LIG 1 -3.278 -2.214 0.882 0.00 0.00 +0.098 C BRANCH 15 17 ATOM 16 C LIG 1 -5.286 -2.935 -0.524 0.00 0.00 +0.006 C ATOM 17 C LIG 1 -4.610 -2.993 0.842 0.00 0.00 +0.021 C ENDBRANCH 15 17 BRANCH 15 18 ATOM 18 C LIG 1 -2.510 -2.557 2.179 0.00 0.00 +0.178 C BRANCH 18 19 ATOM 19 O LIG 1 -3.222 -2.073 3.321 0.00 0.00 -0.393 OA ATOM 20 H LIG 1 -3.470 -1.158 3.075 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 0.982 0.085 -0.268 0.00 0.00 -0.323 N ATOM 22 H LIG 1 1.555 0.881 -0.543 0.00 0.00 +0.148 HD BRANCH 21 23 ATOM 23 C LIG 1 1.387 -0.553 0.970 0.00 0.00 +0.138 C BRANCH 23 24 ATOM 24 C LIG 1 2.889 -0.729 0.968 0.00 0.00 -0.030 A ATOM 25 C LIG 1 3.492 -1.651 0.102 0.00 0.00 +0.006 A ATOM 26 C LIG 1 4.880 -1.813 0.088 0.00 0.00 +0.009 A ATOM 27 C LIG 1 5.697 -1.058 0.940 0.00 0.00 -0.015 A ATOM 28 C LIG 1 5.093 -0.129 1.799 0.00 0.00 +0.009 A ATOM 29 C LIG 1 3.704 0.035 1.812 0.00 0.00 +0.006 A BRANCH 27 30 ATOM 30 C LIG 1 7.140 -1.234 0.911 0.00 0.00 +0.020 A ATOM 31 C LIG 1 7.972 -1.070 2.000 0.00 0.00 +0.203 A ATOM 32 O LIG 1 9.266 -1.313 1.665 0.00 0.00 -0.470 OA ATOM 33 C LIG 1 9.274 -1.645 0.349 0.00 0.00 +0.195 A ATOM 34 C LIG 1 7.997 -1.617 -0.160 0.00 0.00 +0.049 A ENDBRANCH 27 30 ENDBRANCH 23 24 ENDBRANCH 21 23 ENDBRANCH 7 21 TORSDOF 10