REMARK Name = LIG001819 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.073 0.745 -0.112 0.00 0.00 +0.219 A ATOM 2 N LIG 1 -3.813 -0.371 -0.028 0.00 0.00 -0.195 NA ATOM 3 C LIG 1 -3.064 -1.480 0.025 0.00 0.00 +0.167 A ATOM 4 C LIG 1 -1.685 -1.557 -0.004 0.00 0.00 +0.148 A ATOM 5 N LIG 1 -1.262 -2.868 0.083 0.00 0.00 -0.231 NA ATOM 6 C LIG 1 -2.373 -3.573 0.150 0.00 0.00 +0.201 A ATOM 7 C LIG 1 -0.991 -0.340 -0.097 0.00 0.00 +0.152 A ATOM 8 N LIG 1 -3.490 -2.778 0.118 0.00 0.00 -0.312 N ATOM 9 N LIG 1 -1.727 0.803 -0.146 0.00 0.00 -0.197 NA ENDROOT BRANCH 8 10 ATOM 10 C LIG 1 -4.876 -3.220 0.175 0.00 0.00 +0.084 C ATOM 11 C LIG 1 -5.187 -3.926 1.494 0.00 0.00 +0.030 C ATOM 12 C LIG 1 -5.235 -4.098 -1.025 0.00 0.00 +0.030 C ENDBRANCH 8 10 BRANCH 1 13 ATOM 13 N LIG 1 -3.696 1.989 -0.172 0.00 0.00 -0.308 N ATOM 14 H LIG 1 -2.963 2.607 -0.510 0.00 0.00 +0.149 HD BRANCH 13 15 ATOM 15 CA LIG 1 -4.950 2.036 -0.929 0.00 0.00 +0.098 C BRANCH 15 17 ATOM 16 C LIG 1 -5.197 4.596 -0.632 0.00 0.00 +0.006 C ATOM 17 C LIG 1 -5.076 3.424 -1.599 0.00 0.00 +0.021 C ENDBRANCH 15 17 BRANCH 15 18 ATOM 18 C LIG 1 -6.156 1.705 -0.020 0.00 0.00 +0.178 C BRANCH 18 19 ATOM 19 O LIG 1 -7.400 1.849 -0.705 0.00 0.00 -0.393 OA ATOM 20 H LIG 1 -7.628 2.794 -0.694 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 0.407 -0.297 -0.150 0.00 0.00 -0.323 N ATOM 22 H LIG 1 0.790 -1.189 0.160 0.00 0.00 +0.148 HD BRANCH 21 23 ATOM 23 C LIG 1 0.995 0.865 0.490 0.00 0.00 +0.138 C BRANCH 23 24 ATOM 24 C LIG 1 2.498 0.716 0.503 0.00 0.00 -0.030 A ATOM 25 C LIG 1 3.189 0.498 1.699 0.00 0.00 +0.006 A ATOM 26 C LIG 1 4.582 0.359 1.698 0.00 0.00 +0.010 A ATOM 27 C LIG 1 5.331 0.421 0.508 0.00 0.00 +0.000 A ATOM 28 C LIG 1 4.621 0.644 -0.685 0.00 0.00 +0.010 A ATOM 29 C LIG 1 3.228 0.786 -0.690 0.00 0.00 +0.006 A BRANCH 27 30 ATOM 30 C LIG 1 6.801 0.262 0.534 0.00 0.00 +0.071 A ATOM 31 N LIG 1 7.423 0.701 1.658 0.00 0.00 -0.255 NA ATOM 32 C LIG 1 8.768 0.580 1.730 0.00 0.00 +0.114 A ATOM 33 C LIG 1 9.556 0.019 0.735 0.00 0.00 -0.032 A ATOM 34 C LIG 1 11.043 -0.051 0.870 0.00 0.00 +0.045 C ATOM 35 C LIG 1 8.908 -0.424 -0.415 0.00 0.00 +0.007 A ATOM 36 C LIG 1 7.521 -0.308 -0.516 0.00 0.00 +0.028 A ENDBRANCH 27 30 ENDBRANCH 23 24 ENDBRANCH 21 23 ENDBRANCH 7 21 TORSDOF 10