REMARK Name = LIG001909 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.630 -0.959 3.286 0.00 0.00 -0.033 A ATOM 2 C LIG 1 0.360 -1.270 2.779 0.00 0.00 +0.005 A ATOM 3 C LIG 1 -0.611 -0.278 2.618 0.00 0.00 +0.007 A ATOM 4 C LIG 1 -0.331 1.053 2.950 0.00 0.00 -0.010 A ATOM 5 C LIG 1 0.923 1.358 3.498 0.00 0.00 +0.007 A ATOM 6 C LIG 1 1.891 0.363 3.666 0.00 0.00 +0.005 A ENDROOT BRANCH 1 7 ATOM 7 C LIG 1 2.686 -2.038 3.420 0.00 0.00 +0.119 C BRANCH 7 11 ATOM 8 N LIG 1 4.358 -1.055 -0.381 0.00 0.00 -0.325 N ATOM 9 C LIG 1 4.325 -0.228 0.847 0.00 0.00 +0.120 C ATOM 10 C LIG 1 4.568 -1.073 2.119 0.00 0.00 +0.103 C ATOM 11 N LIG 1 3.621 -2.188 2.301 0.00 0.00 -0.295 NA ATOM 12 C LIG 1 2.996 -2.606 1.032 0.00 0.00 +0.103 C ATOM 13 C LIG 1 3.950 -2.470 -0.179 0.00 0.00 +0.120 C BRANCH 8 18 ATOM 14 C LIG 1 7.552 -0.709 -3.150 0.00 0.00 +0.055 A ATOM 15 C LIG 1 7.792 -0.454 -1.799 0.00 0.00 +0.059 A ATOM 16 C LIG 1 6.753 -0.565 -0.873 0.00 0.00 +0.146 A ATOM 17 F LIG 1 7.054 -0.351 0.419 0.00 0.00 -0.204 F ATOM 18 C LIG 1 5.449 -0.929 -1.256 0.00 0.00 +0.066 A ATOM 19 C LIG 1 5.238 -1.193 -2.622 0.00 0.00 +0.027 A ATOM 20 C LIG 1 6.272 -1.084 -3.560 0.00 0.00 +0.021 A BRANCH 14 22 ATOM 21 N LIG 1 9.475 -0.510 -4.879 0.00 0.00 -0.191 NA ATOM 22 C LIG 1 8.614 -0.599 -4.106 0.00 0.00 +0.099 C ENDBRANCH 14 22 ENDBRANCH 8 18 ENDBRANCH 7 11 ENDBRANCH 1 7 BRANCH 4 23 ATOM 23 C LIG 1 -1.356 2.152 2.774 0.00 0.00 +0.264 C BRANCH 23 24 ATOM 24 O LIG 1 -2.356 1.879 1.786 0.00 0.00 -0.487 OA BRANCH 24 25 ATOM 25 C LIG 1 -2.028 1.989 0.466 0.00 0.00 +0.126 A ATOM 26 C LIG 1 -3.043 1.692 -0.428 0.00 0.00 +0.024 A ATOM 27 C LIG 1 -4.449 1.277 -0.155 0.00 0.00 +0.148 C ATOM 28 N LIG 1 -5.017 1.171 -1.495 0.00 0.00 -0.281 N ATOM 29 C LIG 1 -4.060 1.353 -2.482 0.00 0.00 +0.248 C ATOM 30 O LIG 1 -4.193 1.233 -3.684 0.00 0.00 -0.270 OA ATOM 31 C LIG 1 -2.817 1.731 -1.802 0.00 0.00 +0.045 A ATOM 32 C LIG 1 -1.595 2.065 -2.348 0.00 0.00 +0.013 A ATOM 33 C LIG 1 -0.566 2.375 -1.459 0.00 0.00 +0.004 A ATOM 34 C LIG 1 -0.781 2.339 -0.064 0.00 0.00 +0.046 A BRANCH 28 35 ATOM 35 C LIG 1 -6.314 0.567 -1.773 0.00 0.00 +0.163 C ATOM 36 C LIG 1 -6.341 -0.941 -1.463 0.00 0.00 +0.240 C ATOM 37 O LIG 1 -5.349 -1.620 -1.208 0.00 0.00 -0.273 OA ATOM 38 N LIG 1 -7.590 -1.519 -1.470 0.00 0.00 -0.255 N ATOM 39 H LIG 1 -7.591 -2.501 -1.223 0.00 0.00 +0.158 HD ATOM 40 C LIG 1 -8.757 -0.865 -1.163 0.00 0.00 +0.219 C ATOM 41 O LIG 1 -9.728 -1.472 -0.718 0.00 0.00 -0.275 OA ATOM 42 C LIG 1 -8.775 0.626 -1.405 0.00 0.00 +0.098 C ATOM 43 C LIG 1 -7.446 1.254 -1.013 0.00 0.00 +0.041 C ENDBRANCH 28 35 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 4 23 TORSDOF 8