REMARK Name = LIG001519 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.707 -2.222 -2.928 0.00 0.00 +0.139 C ENDROOT BRANCH 1 8 ATOM 2 N LIG 1 4.224 -0.098 -0.084 0.00 0.00 -0.282 N ATOM 3 C LIG 1 3.963 -1.414 0.267 0.00 0.00 +0.248 C ATOM 4 O LIG 1 4.561 -2.121 1.054 0.00 0.00 -0.270 OA ATOM 5 C LIG 1 2.777 -1.828 -0.490 0.00 0.00 +0.042 A ATOM 6 C LIG 1 2.314 -0.726 -1.204 0.00 0.00 -0.018 A ATOM 7 C LIG 1 1.191 -0.836 -2.005 0.00 0.00 +0.011 A ATOM 8 C LIG 1 0.536 -2.081 -2.083 0.00 0.00 -0.030 A ATOM 9 C LIG 1 1.022 -3.182 -1.339 0.00 0.00 +0.006 A ATOM 10 C LIG 1 2.156 -3.061 -0.532 0.00 0.00 +0.014 A ATOM 11 C LIG 1 3.171 0.460 -0.922 0.00 0.00 +0.144 C BRANCH 2 18 ATOM 12 O LIG 1 7.674 2.023 3.653 0.00 0.00 -0.275 OA ATOM 13 C LIG 1 6.950 1.581 2.764 0.00 0.00 +0.219 C ATOM 14 N LIG 1 5.588 1.536 2.919 0.00 0.00 -0.255 N ATOM 15 H LIG 1 5.232 1.853 3.810 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 4.640 1.199 1.980 0.00 0.00 +0.240 C ATOM 17 O LIG 1 3.444 1.351 2.224 0.00 0.00 -0.273 OA ATOM 18 C LIG 1 5.178 0.763 0.608 0.00 0.00 +0.163 C ATOM 19 C LIG 1 6.571 0.150 0.747 0.00 0.00 +0.041 C ATOM 20 C LIG 1 7.496 1.150 1.423 0.00 0.00 +0.098 C ENDBRANCH 2 18 ENDBRANCH 1 8 BRANCH 1 21 ATOM 21 N LIG 1 -1.867 -1.734 -2.219 0.00 0.00 -0.307 N ATOM 22 H LIG 1 -2.153 -2.244 -1.394 0.00 0.00 +0.149 HD ATOM 23 C LIG 1 -2.338 -0.459 -2.403 0.00 0.00 +0.244 C ATOM 24 O LIG 1 -1.877 0.339 -3.211 0.00 0.00 -0.270 OA BRANCH 23 25 ATOM 25 C LIG 1 -3.428 -0.057 -1.480 0.00 0.00 +0.052 C ATOM 26 C LIG 1 -3.409 1.373 -1.038 0.00 0.00 +0.270 C ATOM 27 O LIG 1 -4.186 1.656 0.138 0.00 0.00 -0.483 OA ATOM 28 C LIG 1 -5.292 0.883 0.360 0.00 0.00 +0.170 A ATOM 29 C LIG 1 -5.453 -0.372 -0.250 0.00 0.00 +0.021 A ATOM 30 C LIG 1 -6.606 -1.125 -0.005 0.00 0.00 +0.012 A ATOM 31 C LIG 1 -7.601 -0.627 0.835 0.00 0.00 +0.004 A ATOM 32 C LIG 1 -7.435 0.613 1.450 0.00 0.00 +0.050 A ATOM 33 C LIG 1 -6.271 1.360 1.242 0.00 0.00 +0.172 A ATOM 34 C LIG 1 -4.408 -0.898 -1.123 0.00 0.00 +0.023 C BRANCH 33 35 ATOM 35 O LIG 1 -6.241 2.559 1.897 0.00 0.00 -0.402 OA BRANCH 35 36 ATOM 36 C LIG 1 -5.003 2.920 2.497 0.00 0.00 +0.575 C ATOM 37 F LIG 1 -4.270 3.694 1.670 0.00 0.00 -0.133 F ATOM 38 F LIG 1 -4.284 1.850 2.901 0.00 0.00 -0.133 F ATOM 39 F LIG 1 -5.280 3.659 3.600 0.00 0.00 -0.133 F ENDBRANCH 35 36 ENDBRANCH 33 35 ENDBRANCH 23 25 ENDBRANCH 1 21 TORSDOF 6