REMARK Name = LIG001374 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 3.130 -0.363 -2.007 0.00 0.00 -0.289 NA ATOM 2 C LIG 1 2.640 0.741 -2.863 0.00 0.00 +0.159 C ATOM 3 C LIG 1 1.144 0.801 -2.925 0.00 0.00 +0.124 A ATOM 4 N LIG 1 0.362 0.154 -2.001 0.00 0.00 -0.325 N ATOM 5 C LIG 1 -0.958 0.420 -2.277 0.00 0.00 +0.069 A ATOM 6 C LIG 1 -0.894 1.256 -3.378 0.00 0.00 +0.139 A ATOM 7 C LIG 1 0.920 -0.646 -0.928 0.00 0.00 +0.139 C ATOM 8 N LIG 1 0.400 1.488 -3.767 0.00 0.00 -0.239 NA ATOM 9 C LIG 1 2.412 -0.355 -0.717 0.00 0.00 +0.107 C ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -2.108 -0.071 -1.528 0.00 0.00 +0.000 A ATOM 11 C LIG 1 -3.024 0.847 -0.987 0.00 0.00 +0.016 A ATOM 12 C LIG 1 -4.111 0.361 -0.280 0.00 0.00 -0.017 A ATOM 13 C LIG 1 -5.229 1.099 0.377 0.00 0.00 +0.144 C ATOM 14 N LIG 1 -5.991 0.028 1.008 0.00 0.00 -0.282 N ATOM 15 C LIG 1 -5.509 -1.227 0.662 0.00 0.00 +0.248 C ATOM 16 O LIG 1 -5.980 -2.313 0.942 0.00 0.00 -0.270 OA ATOM 17 C LIG 1 -4.287 -1.012 -0.120 0.00 0.00 +0.042 A ATOM 18 C LIG 1 -3.417 -1.943 -0.651 0.00 0.00 +0.014 A ATOM 19 C LIG 1 -2.317 -1.459 -1.365 0.00 0.00 +0.011 A BRANCH 14 20 ATOM 20 C LIG 1 -7.322 0.212 1.572 0.00 0.00 +0.163 C ATOM 21 C LIG 1 -8.375 0.528 0.495 0.00 0.00 +0.240 C ATOM 22 O LIG 1 -8.185 0.427 -0.714 0.00 0.00 -0.273 OA ATOM 23 N LIG 1 -9.591 0.960 0.974 0.00 0.00 -0.255 N ATOM 24 H LIG 1 -10.271 1.181 0.259 0.00 0.00 +0.158 HD ATOM 25 C LIG 1 -9.801 1.588 2.175 0.00 0.00 +0.219 C ATOM 26 O LIG 1 -10.801 2.273 2.366 0.00 0.00 -0.275 OA ATOM 27 C LIG 1 -8.752 1.375 3.241 0.00 0.00 +0.098 C ATOM 28 C LIG 1 -7.358 1.306 2.635 0.00 0.00 +0.041 C ENDBRANCH 14 20 ENDBRANCH 5 10 BRANCH 1 29 ATOM 29 C LIG 1 4.587 -0.222 -1.815 0.00 0.00 +0.120 C BRANCH 29 31 ATOM 30 C LIG 1 6.009 -1.333 0.018 0.00 0.00 -0.010 A ATOM 31 C LIG 1 5.226 -1.433 -1.155 0.00 0.00 -0.026 A ATOM 32 C LIG 1 5.040 -2.697 -1.751 0.00 0.00 +0.005 A ATOM 33 C LIG 1 5.600 -3.846 -1.194 0.00 0.00 +0.000 A ATOM 34 C LIG 1 6.360 -3.752 -0.034 0.00 0.00 +0.001 A ATOM 35 C LIG 1 6.563 -2.508 0.564 0.00 0.00 +0.009 A BRANCH 30 37 ATOM 36 C LIG 1 5.486 0.455 1.728 0.00 0.00 +0.128 A ATOM 37 C LIG 1 6.291 -0.047 0.682 0.00 0.00 +0.024 A ATOM 38 C LIG 1 7.410 0.700 0.266 0.00 0.00 +0.012 A ATOM 39 C LIG 1 7.719 1.921 0.863 0.00 0.00 +0.001 A ATOM 40 C LIG 1 6.915 2.413 1.885 0.00 0.00 +0.004 A ATOM 41 C LIG 1 5.803 1.686 2.316 0.00 0.00 +0.046 A BRANCH 36 43 ATOM 42 C LIG 1 3.735 0.028 3.292 0.00 0.00 +0.277 C ATOM 43 O LIG 1 4.406 -0.313 2.087 0.00 0.00 -0.495 OA ENDBRANCH 36 43 ENDBRANCH 30 37 ENDBRANCH 29 31 ENDBRANCH 1 29 TORSDOF 6