REMARK Name = LIG001075 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -3.934 0.407 0.475 0.00 0.00 -0.282 N ATOM 2 C LIG 1 -4.301 -0.926 0.460 0.00 0.00 +0.248 C ATOM 3 O LIG 1 -5.410 -1.405 0.580 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -3.080 -1.702 0.223 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -2.026 -0.809 0.027 0.00 0.00 +0.003 A ATOM 6 C LIG 1 -0.747 -1.270 -0.246 0.00 0.00 +0.038 A ATOM 7 C LIG 1 -0.562 -2.664 -0.261 0.00 0.00 +0.023 A ATOM 8 C LIG 1 -1.636 -3.555 -0.064 0.00 0.00 +0.003 A ATOM 9 C LIG 1 -2.921 -3.073 0.176 0.00 0.00 +0.013 A ATOM 10 C LIG 1 -2.535 0.591 0.112 0.00 0.00 +0.146 C ENDROOT BRANCH 1 17 ATOM 11 O LIG 1 -8.972 0.901 0.459 0.00 0.00 -0.275 OA ATOM 12 C LIG 1 -7.756 1.078 0.516 0.00 0.00 +0.219 C ATOM 13 N LIG 1 -7.053 1.425 -0.608 0.00 0.00 -0.255 N ATOM 14 H LIG 1 -7.590 1.445 -1.463 0.00 0.00 +0.158 HD ATOM 15 C LIG 1 -5.699 1.590 -0.749 0.00 0.00 +0.240 C ATOM 16 O LIG 1 -5.197 1.727 -1.865 0.00 0.00 -0.273 OA ATOM 17 C LIG 1 -4.853 1.539 0.524 0.00 0.00 +0.163 C ATOM 18 C LIG 1 -5.673 1.668 1.806 0.00 0.00 +0.041 C ATOM 19 C LIG 1 -6.981 0.899 1.796 0.00 0.00 +0.098 C ENDBRANCH 1 17 BRANCH 6 20 ATOM 20 N LIG 1 0.317 -0.356 -0.374 0.00 0.00 -0.299 N ATOM 21 H LIG 1 0.610 -0.013 0.540 0.00 0.00 +0.154 HD BRANCH 20 22 ATOM 22 C LIG 1 1.509 -0.549 -1.097 0.00 0.00 +0.127 A ATOM 23 N LIG 1 2.641 -0.156 -0.492 0.00 0.00 -0.210 NA ATOM 24 C LIG 1 3.780 -0.320 -1.193 0.00 0.00 +0.197 A ATOM 25 N LIG 1 3.871 -0.829 -2.433 0.00 0.00 -0.233 NA ATOM 26 C LIG 1 2.712 -1.188 -3.004 0.00 0.00 +0.116 A ATOM 27 C LIG 1 1.494 -1.066 -2.378 0.00 0.00 +0.063 A BRANCH 24 28 ATOM 28 C LIG 1 5.007 0.095 -0.528 0.00 0.00 +0.173 A ATOM 29 O LIG 1 6.178 -0.072 -1.218 0.00 0.00 -0.452 OA ATOM 30 C LIG 1 7.186 0.375 -0.421 0.00 0.00 +0.136 A ATOM 31 C LIG 1 6.679 0.834 0.789 0.00 0.00 +0.021 A ATOM 32 C LIG 1 7.577 1.336 1.746 0.00 0.00 +0.011 A ATOM 33 C LIG 1 8.946 1.354 1.440 0.00 0.00 +0.001 A ATOM 34 C LIG 1 9.416 0.884 0.211 0.00 0.00 +0.004 A ATOM 35 C LIG 1 8.538 0.380 -0.754 0.00 0.00 +0.047 A ATOM 36 C LIG 1 5.275 0.649 0.711 0.00 0.00 +0.061 A ENDBRANCH 24 28 ENDBRANCH 20 22 ENDBRANCH 6 20 TORSDOF 4