REMARK Name = LIG001477 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -3.714 0.194 0.561 0.00 0.00 -0.282 N ATOM 2 C LIG 1 -2.680 -0.248 -0.254 0.00 0.00 +0.248 C ATOM 3 O LIG 1 -2.760 -0.802 -1.332 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -1.425 0.106 0.421 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -1.744 0.834 1.565 0.00 0.00 -0.018 A ATOM 6 C LIG 1 -0.740 1.311 2.383 0.00 0.00 +0.008 A ATOM 7 C LIG 1 0.586 1.034 2.026 0.00 0.00 +0.023 A ATOM 8 C LIG 1 0.905 0.288 0.866 0.00 0.00 +0.034 A ATOM 9 C LIG 1 -0.123 -0.180 0.045 0.00 0.00 +0.036 A ATOM 10 C LIG 1 -3.223 0.988 1.677 0.00 0.00 +0.144 C ENDROOT BRANCH 1 17 ATOM 11 O LIG 1 -8.359 0.284 -2.403 0.00 0.00 -0.275 OA ATOM 12 C LIG 1 -7.353 0.216 -1.702 0.00 0.00 +0.219 C ATOM 13 N LIG 1 -6.433 1.234 -1.686 0.00 0.00 -0.255 N ATOM 14 H LIG 1 -6.622 2.010 -2.304 0.00 0.00 +0.158 HD ATOM 15 C LIG 1 -5.370 1.396 -0.828 0.00 0.00 +0.240 C ATOM 16 O LIG 1 -4.754 2.461 -0.797 0.00 0.00 -0.273 OA ATOM 17 C LIG 1 -5.114 0.242 0.154 0.00 0.00 +0.163 C ATOM 18 C LIG 1 -5.638 -1.076 -0.416 0.00 0.00 +0.041 C ATOM 19 C LIG 1 -7.115 -0.930 -0.746 0.00 0.00 +0.098 C ENDBRANCH 1 17 BRANCH 8 20 ATOM 20 N LIG 1 2.277 0.078 0.608 0.00 0.00 -0.280 N ATOM 21 H LIG 1 2.918 0.492 1.268 0.00 0.00 +0.155 HD ATOM 22 C LIG 1 2.842 -0.695 -0.398 0.00 0.00 +0.268 C ATOM 23 O LIG 1 2.211 -1.379 -1.195 0.00 0.00 -0.268 OA BRANCH 22 24 ATOM 24 C LIG 1 4.318 -0.654 -0.423 0.00 0.00 +0.144 A ATOM 25 N LIG 1 5.074 -1.594 -1.110 0.00 0.00 -0.223 NA ATOM 26 C LIG 1 6.331 -1.254 -0.940 0.00 0.00 +0.138 A ATOM 27 N LIG 1 6.441 -0.111 -0.161 0.00 0.00 -0.306 N ATOM 28 C LIG 1 7.658 0.478 0.175 0.00 0.00 +0.093 A ATOM 29 C LIG 1 8.799 -0.079 -0.268 0.00 0.00 +0.018 A ATOM 30 C LIG 1 8.723 -1.280 -1.087 0.00 0.00 +0.005 A ATOM 31 C LIG 1 7.540 -1.841 -1.408 0.00 0.00 +0.047 A ATOM 32 C LIG 1 5.164 0.272 0.170 0.00 0.00 +0.125 A ENDBRANCH 22 24 ENDBRANCH 8 20 TORSDOF 3