REMARK Name = LIG000435 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.142 -0.095 0.905 0.00 0.00 +0.193 C ENDROOT BRANCH 1 6 ATOM 2 C LIG 1 -1.409 5.560 1.080 0.00 0.00 +0.044 C ATOM 3 C LIG 1 -1.015 4.115 1.000 0.00 0.00 -0.050 A ATOM 4 C LIG 1 0.263 3.752 0.568 0.00 0.00 +0.004 A ATOM 5 C LIG 1 0.645 2.408 0.521 0.00 0.00 +0.006 A ATOM 6 C LIG 1 -0.242 1.390 0.903 0.00 0.00 -0.018 A ATOM 7 C LIG 1 -1.516 1.771 1.367 0.00 0.00 +0.006 A ATOM 8 C LIG 1 -1.897 3.115 1.414 0.00 0.00 +0.004 A ENDBRANCH 1 6 BRANCH 1 9 ATOM 9 C LIG 1 -0.853 -1.062 0.197 0.00 0.00 +0.239 C ATOM 10 N LIG 1 -1.619 -0.527 -0.816 0.00 0.00 -0.309 N ATOM 11 H LIG 1 -1.279 0.360 -1.196 0.00 0.00 +0.149 HD ATOM 12 O LIG 1 -0.889 -2.255 0.500 0.00 0.00 -0.273 OA BRANCH 10 13 ATOM 13 C LIG 1 -2.591 -1.263 -1.636 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -1.898 -2.346 -2.475 0.00 0.00 +0.031 C ATOM 15 C LIG 1 -3.262 -0.257 -2.589 0.00 0.00 +0.031 C ATOM 16 C LIG 1 -3.685 -1.894 -0.759 0.00 0.00 +0.031 C ENDBRANCH 10 13 ENDBRANCH 1 9 BRANCH 1 17 ATOM 17 N LIG 1 1.571 -0.376 0.610 0.00 0.00 -0.274 N ATOM 18 C LIG 1 2.572 -0.472 1.575 0.00 0.00 +0.220 C ATOM 19 O LIG 1 3.747 -0.654 1.222 0.00 0.00 -0.275 OA BRANCH 17 20 ATOM 20 C LIG 1 2.006 -0.706 -0.780 0.00 0.00 +0.164 C ATOM 21 C LIG 1 1.270 -0.143 -2.015 0.00 0.00 +0.240 C ATOM 22 O LIG 1 0.463 0.783 -1.992 0.00 0.00 -0.273 OA ATOM 23 N LIG 1 1.599 -0.717 -3.223 0.00 0.00 -0.255 N ATOM 24 H LIG 1 1.120 -0.342 -4.030 0.00 0.00 +0.158 HD ATOM 25 C LIG 1 2.229 -1.917 -3.432 0.00 0.00 +0.219 C ATOM 26 O LIG 1 2.263 -2.422 -4.550 0.00 0.00 -0.275 OA ATOM 27 C LIG 1 2.898 -2.544 -2.236 0.00 0.00 +0.098 C ATOM 28 C LIG 1 2.136 -2.230 -0.957 0.00 0.00 +0.041 C ENDBRANCH 17 20 BRANCH 18 29 ATOM 29 C LIG 1 2.307 -0.421 3.086 0.00 0.00 +0.069 C ATOM 30 C LIG 1 1.607 -1.673 3.608 0.00 0.00 +0.017 C ATOM 31 C LIG 1 1.718 0.876 3.621 0.00 0.00 +0.017 C ENDBRANCH 18 29 ENDBRANCH 1 17 TORSDOF 6