REMARK Name = LIG001479 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.418 -1.767 0.932 0.00 0.00 +0.024 A ATOM 2 C LIG 1 -1.278 -1.347 2.273 0.00 0.00 +0.129 A ATOM 3 C LIG 1 -0.888 -2.257 3.260 0.00 0.00 +0.046 A ATOM 4 C LIG 1 -0.600 -3.580 2.919 0.00 0.00 +0.004 A ATOM 5 C LIG 1 -0.709 -4.002 1.598 0.00 0.00 +0.001 A ATOM 6 C LIG 1 -1.118 -3.104 0.613 0.00 0.00 +0.012 A ENDROOT BRANCH 1 14 ATOM 7 N LIG 1 -5.373 0.180 0.053 0.00 0.00 -0.282 N ATOM 8 C LIG 1 -4.943 0.809 -1.100 0.00 0.00 +0.248 C ATOM 9 O LIG 1 -5.585 1.489 -1.876 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 -3.519 0.493 -1.255 0.00 0.00 +0.042 A ATOM 11 C LIG 1 -2.639 0.925 -2.229 0.00 0.00 +0.013 A ATOM 12 C LIG 1 -1.327 0.460 -2.156 0.00 0.00 +0.001 A ATOM 13 C LIG 1 -0.937 -0.417 -1.125 0.00 0.00 +0.009 A ATOM 14 C LIG 1 -1.844 -0.851 -0.135 0.00 0.00 -0.009 A ATOM 15 C LIG 1 -3.148 -0.373 -0.226 0.00 0.00 -0.010 A ATOM 16 C LIG 1 -4.335 -0.666 0.632 0.00 0.00 +0.145 C BRANCH 7 21 ATOM 17 C LIG 1 -9.632 -1.709 -1.310 0.00 0.00 +0.141 C ATOM 18 N LIG 1 -8.824 -0.648 -0.735 0.00 0.00 -0.244 N ATOM 19 C LIG 1 -7.521 -0.965 -0.366 0.00 0.00 +0.242 C ATOM 20 O LIG 1 -6.997 -2.048 -0.650 0.00 0.00 -0.273 OA ATOM 21 C LIG 1 -6.765 0.070 0.486 0.00 0.00 +0.164 C ATOM 22 C LIG 1 -7.481 1.404 0.666 0.00 0.00 +0.041 C ATOM 23 C LIG 1 -8.378 1.760 -0.498 0.00 0.00 +0.099 C ATOM 24 C LIG 1 -9.334 0.643 -0.823 0.00 0.00 +0.222 C ATOM 25 O LIG 1 -10.478 0.895 -1.205 0.00 0.00 -0.275 OA ENDBRANCH 7 21 ENDBRANCH 1 14 BRANCH 2 26 ATOM 26 O LIG 1 -1.580 -0.034 2.549 0.00 0.00 -0.482 OA BRANCH 26 27 ATOM 27 C LIG 1 -0.717 0.624 3.469 0.00 0.00 +0.326 C BRANCH 27 28 ATOM 28 C LIG 1 0.740 0.793 3.025 0.00 0.00 +0.270 C ATOM 29 N LIG 1 0.863 0.966 1.651 0.00 0.00 -0.204 N ATOM 30 H LIG 1 0.009 1.132 1.122 0.00 0.00 +0.177 HD ATOM 31 O LIG 1 1.657 0.824 3.843 0.00 0.00 -0.270 OA BRANCH 29 32 ATOM 32 N LIG 1 2.015 1.258 0.968 0.00 0.00 -0.186 NA ATOM 33 C LIG 1 3.142 0.810 1.427 0.00 0.00 +0.160 C BRANCH 33 34 ATOM 34 C LIG 1 4.383 1.124 0.735 0.00 0.00 +0.113 A ATOM 35 C LIG 1 4.599 1.964 -0.399 0.00 0.00 +0.029 A ATOM 36 C LIG 1 5.970 1.903 -0.646 0.00 0.00 +0.070 A ATOM 37 C LIG 1 6.580 2.605 -1.696 0.00 0.00 +0.028 A ATOM 38 C LIG 1 5.763 3.391 -2.513 0.00 0.00 +0.002 A ATOM 39 C LIG 1 4.391 3.473 -2.287 0.00 0.00 +0.001 A ATOM 40 N LIG 1 6.471 1.061 0.317 0.00 0.00 -0.259 N ATOM 41 C LIG 1 3.796 2.766 -1.236 0.00 0.00 +0.012 A ATOM 42 N LIG 1 5.535 0.582 1.167 0.00 0.00 -0.169 NA BRANCH 40 43 ATOM 43 C LIG 1 7.871 0.707 0.529 0.00 0.00 +0.179 C BRANCH 43 44 ATOM 44 C LIG 1 8.376 -0.295 -0.482 0.00 0.00 -0.026 A ATOM 45 C LIG 1 7.749 -1.540 -0.637 0.00 0.00 +0.005 A ATOM 46 C LIG 1 8.232 -2.469 -1.561 0.00 0.00 +0.000 A ATOM 47 C LIG 1 9.352 -2.167 -2.333 0.00 0.00 +0.000 A ATOM 48 C LIG 1 9.992 -0.940 -2.181 0.00 0.00 +0.000 A ATOM 49 C LIG 1 9.510 -0.009 -1.258 0.00 0.00 +0.005 A ENDBRANCH 43 44 ENDBRANCH 40 43 ENDBRANCH 33 34 ENDBRANCH 29 32 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 2 26 TORSDOF 9