REMARK Name = LIG001879 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -2.505 -0.695 2.170 0.00 0.00 -0.335 N ATOM 2 H LIG 1 -2.408 -1.544 2.729 0.00 0.00 +0.147 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 -3.735 -0.686 1.496 0.00 0.00 +0.028 A ATOM 4 C LIG 1 -4.389 0.488 1.098 0.00 0.00 +0.036 A ATOM 5 C LIG 1 -5.555 0.368 0.363 0.00 0.00 +0.051 A ATOM 6 C LIG 1 -6.448 1.398 -0.162 0.00 0.00 +0.255 C ATOM 7 N LIG 1 -7.436 0.749 -0.853 0.00 0.00 -0.222 N ATOM 8 C LIG 1 -7.297 -0.609 -0.766 0.00 0.00 +0.254 C ATOM 9 O LIG 1 -8.023 -1.486 -1.192 0.00 0.00 -0.270 OA ATOM 10 O LIG 1 -6.293 2.592 0.009 0.00 0.00 -0.270 OA ATOM 11 C LIG 1 -6.071 -0.856 -0.009 0.00 0.00 +0.050 A ATOM 12 C LIG 1 -5.446 -2.035 0.329 0.00 0.00 +0.015 A ATOM 13 C LIG 1 -4.263 -1.936 1.073 0.00 0.00 +0.024 A BRANCH 7 14 ATOM 14 C LIG 1 -8.597 1.437 -1.396 0.00 0.00 +0.171 C ATOM 15 C LIG 1 -9.766 1.306 -0.414 0.00 0.00 +0.240 C ATOM 16 O LIG 1 -9.631 1.071 0.785 0.00 0.00 -0.273 OA ATOM 17 N LIG 1 -11.017 1.535 -0.943 0.00 0.00 -0.255 N ATOM 18 H LIG 1 -11.790 1.461 -0.296 0.00 0.00 +0.158 HD ATOM 19 C LIG 1 -11.356 1.696 -2.264 0.00 0.00 +0.219 C ATOM 20 O LIG 1 -12.528 1.817 -2.607 0.00 0.00 -0.275 OA ATOM 21 C LIG 1 -10.214 1.778 -3.251 0.00 0.00 +0.098 C ATOM 22 C LIG 1 -9.019 0.959 -2.783 0.00 0.00 +0.041 C ENDBRANCH 7 14 ENDBRANCH 1 3 BRANCH 1 23 ATOM 23 C LIG 1 -2.120 0.489 2.969 0.00 0.00 +0.197 C BRANCH 23 25 ATOM 24 O LIG 1 -0.355 0.917 4.582 0.00 0.00 -0.274 OA ATOM 25 C LIG 1 -0.736 0.284 3.602 0.00 0.00 +0.230 C ATOM 26 N LIG 1 0.045 -0.644 2.943 0.00 0.00 -0.312 N ATOM 27 H LIG 1 -0.316 -0.971 2.050 0.00 0.00 +0.149 HD BRANCH 26 28 ATOM 28 C LIG 1 1.427 -0.889 3.303 0.00 0.00 +0.132 C BRANCH 28 29 ATOM 29 C LIG 1 2.384 0.170 2.746 0.00 0.00 +0.178 C BRANCH 29 30 ATOM 30 O LIG 1 3.745 -0.046 3.118 0.00 0.00 -0.376 OA BRANCH 30 31 ATOM 31 C LIG 1 4.381 -1.200 2.570 0.00 0.00 +0.188 C BRANCH 31 32 ATOM 32 C LIG 1 4.409 -1.261 1.036 0.00 0.00 +0.188 C BRANCH 32 33 ATOM 33 O LIG 1 4.809 -0.049 0.396 0.00 0.00 -0.375 OA BRANCH 33 34 ATOM 34 C LIG 1 6.130 0.403 0.689 0.00 0.00 +0.188 C BRANCH 34 35 ATOM 35 C LIG 1 7.216 -0.473 0.059 0.00 0.00 +0.188 C BRANCH 35 36 ATOM 36 O LIG 1 8.523 0.048 0.305 0.00 0.00 -0.373 OA BRANCH 36 37 ATOM 37 C LIG 1 8.938 1.028 -0.649 0.00 0.00 +0.195 C BRANCH 37 38 ATOM 38 C LIG 1 9.445 0.389 -1.919 0.00 0.00 -0.022 A ATOM 39 C LIG 1 9.030 0.866 -3.171 0.00 0.00 +0.006 A ATOM 40 C LIG 1 9.515 0.286 -4.345 0.00 0.00 +0.000 A ATOM 41 C LIG 1 10.423 -0.770 -4.280 0.00 0.00 +0.000 A ATOM 42 C LIG 1 10.848 -1.247 -3.042 0.00 0.00 +0.000 A ATOM 43 C LIG 1 10.365 -0.669 -1.868 0.00 0.00 +0.006 A ENDBRANCH 37 38 ENDBRANCH 36 37 ENDBRANCH 35 36 ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 23 25 ENDBRANCH 1 23 TORSDOF 15