REMARK Name = LIG001518 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 3.811 -0.345 0.604 0.00 0.00 -0.282 N ATOM 2 C LIG 1 3.507 0.658 1.514 0.00 0.00 +0.248 C ATOM 3 O LIG 1 4.208 1.096 2.405 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 2.145 1.110 1.208 0.00 0.00 +0.042 A ATOM 5 C LIG 1 1.700 0.414 0.085 0.00 0.00 -0.017 A ATOM 6 C LIG 1 0.435 0.651 -0.429 0.00 0.00 +0.016 A ATOM 7 C LIG 1 -0.383 1.597 0.216 0.00 0.00 +0.004 A ATOM 8 C LIG 1 0.099 2.303 1.342 0.00 0.00 +0.011 A ATOM 9 C LIG 1 1.377 2.059 1.853 0.00 0.00 +0.014 A ATOM 10 C LIG 1 2.771 -0.502 -0.405 0.00 0.00 +0.144 C ENDROOT BRANCH 1 17 ATOM 11 O LIG 1 8.296 -2.609 -1.578 0.00 0.00 -0.275 OA ATOM 12 C LIG 1 7.423 -2.080 -0.896 0.00 0.00 +0.219 C ATOM 13 N LIG 1 7.126 -0.748 -1.036 0.00 0.00 -0.255 N ATOM 14 H LIG 1 7.617 -0.285 -1.790 0.00 0.00 +0.158 HD ATOM 15 C LIG 1 5.939 -0.152 -0.675 0.00 0.00 +0.240 C ATOM 16 O LIG 1 5.558 0.866 -1.249 0.00 0.00 -0.273 OA ATOM 17 C LIG 1 5.166 -0.860 0.451 0.00 0.00 +0.163 C ATOM 18 C LIG 1 5.193 -2.364 0.199 0.00 0.00 +0.041 C ATOM 19 C LIG 1 6.636 -2.842 0.144 0.00 0.00 +0.098 C ENDBRANCH 1 17 BRANCH 7 20 ATOM 20 C LIG 1 -1.714 1.890 -0.282 0.00 0.00 +0.112 A ATOM 21 C LIG 1 -2.715 0.966 -0.547 0.00 0.00 +0.135 A ATOM 22 N LIG 1 -3.761 1.727 -1.058 0.00 0.00 -0.287 N ATOM 23 C LIG 1 -3.369 3.062 -0.955 0.00 0.00 +0.140 A ATOM 24 C LIG 1 -4.299 4.053 -1.382 0.00 0.00 +0.047 A ATOM 25 C LIG 1 -5.488 3.683 -1.893 0.00 0.00 +0.005 A ATOM 26 C LIG 1 -5.853 2.282 -2.025 0.00 0.00 +0.018 A ATOM 27 C LIG 1 -4.989 1.342 -1.608 0.00 0.00 +0.094 A ATOM 28 N LIG 1 -2.149 3.179 -0.480 0.00 0.00 -0.226 NA BRANCH 21 29 ATOM 29 N LIG 1 -2.753 -0.397 -0.431 0.00 0.00 -0.299 N ATOM 30 H LIG 1 -1.858 -0.843 -0.230 0.00 0.00 +0.154 HD BRANCH 29 31 ATOM 31 C LIG 1 -3.734 -1.111 0.313 0.00 0.00 +0.032 A ATOM 32 C LIG 1 -3.845 -2.493 0.101 0.00 0.00 +0.023 A ATOM 33 C LIG 1 -4.786 -3.253 0.800 0.00 0.00 +0.002 A ATOM 34 C LIG 1 -5.625 -2.639 1.726 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -5.522 -1.269 1.954 0.00 0.00 +0.002 A ATOM 36 C LIG 1 -4.581 -0.510 1.253 0.00 0.00 +0.023 A ENDBRANCH 29 31 ENDBRANCH 21 29 ENDBRANCH 7 20 TORSDOF 4