REMARK Name = LIG001309 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -6.143 0.295 2.078 0.00 0.00 +0.173 C ATOM 2 N LIG 1 -4.842 -0.133 2.532 0.00 0.00 -0.263 N ATOM 3 C LIG 1 -3.623 0.073 1.926 0.00 0.00 +0.093 A ATOM 4 C LIG 1 -2.715 -0.550 2.780 0.00 0.00 +0.131 A ATOM 5 N LIG 1 -1.374 -0.588 2.579 0.00 0.00 -0.242 NA ATOM 6 C LIG 1 -0.934 0.014 1.456 0.00 0.00 +0.072 A ATOM 7 C LIG 1 -1.784 0.663 0.558 0.00 0.00 +0.035 A ATOM 8 C LIG 1 -3.491 -1.090 3.839 0.00 0.00 +0.164 A ATOM 9 C LIG 1 -3.181 0.716 0.754 0.00 0.00 -0.004 A ATOM 10 N LIG 1 -4.782 -0.814 3.696 0.00 0.00 -0.154 NA ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 0.528 -0.055 1.239 0.00 0.00 +0.001 A ATOM 12 C LIG 1 1.073 -0.250 -0.049 0.00 0.00 +0.016 A ATOM 13 C LIG 1 2.450 -0.310 -0.203 0.00 0.00 -0.017 A ATOM 14 C LIG 1 3.264 -0.493 -1.438 0.00 0.00 +0.144 C ATOM 15 N LIG 1 4.625 -0.544 -0.922 0.00 0.00 -0.282 N ATOM 16 C LIG 1 4.675 -0.274 0.435 0.00 0.00 +0.248 C ATOM 17 O LIG 1 5.653 -0.105 1.135 0.00 0.00 -0.270 OA ATOM 18 C LIG 1 3.287 -0.178 0.900 0.00 0.00 +0.042 A ATOM 19 C LIG 1 2.808 0.011 2.179 0.00 0.00 +0.014 A ATOM 20 C LIG 1 1.419 0.066 2.340 0.00 0.00 +0.011 A BRANCH 15 21 ATOM 21 C LIG 1 5.771 -0.574 -1.823 0.00 0.00 +0.163 C ATOM 22 C LIG 1 6.379 0.822 -1.953 0.00 0.00 +0.240 C ATOM 23 O LIG 1 5.743 1.774 -2.409 0.00 0.00 -0.273 OA ATOM 24 N LIG 1 7.660 0.993 -1.496 0.00 0.00 -0.255 N ATOM 25 H LIG 1 8.038 1.926 -1.581 0.00 0.00 +0.158 HD ATOM 26 C LIG 1 8.455 0.099 -0.829 0.00 0.00 +0.219 C ATOM 27 O LIG 1 9.579 0.425 -0.453 0.00 0.00 -0.275 OA ATOM 28 C LIG 1 7.888 -1.272 -0.561 0.00 0.00 +0.098 C ATOM 29 C LIG 1 6.803 -1.666 -1.546 0.00 0.00 +0.041 C ENDBRANCH 15 21 ENDBRANCH 6 11 BRANCH 8 30 ATOM 30 N LIG 1 -2.986 -1.779 4.877 0.00 0.00 -0.340 N ATOM 31 H LIG 1 -3.562 -1.845 5.707 0.00 0.00 +0.144 HD ATOM 32 H LIG 1 -1.991 -1.703 5.058 0.00 0.00 +0.144 HD ENDBRANCH 8 30 BRANCH 9 33 ATOM 33 C LIG 1 -4.029 1.442 -0.268 0.00 0.00 +0.121 C BRANCH 33 34 ATOM 34 N LIG 1 -3.855 0.899 -1.626 0.00 0.00 -0.298 NA ATOM 35 C LIG 1 -4.515 -0.405 -1.803 0.00 0.00 +0.085 C ATOM 36 C LIG 1 -5.953 -0.109 -2.211 0.00 0.00 +0.017 C ATOM 37 C LIG 1 -5.950 1.340 -2.675 0.00 0.00 +0.017 C ATOM 38 C LIG 1 -4.490 1.758 -2.636 0.00 0.00 +0.085 C ENDBRANCH 33 34 ENDBRANCH 9 33 TORSDOF 5