REMARK Name = LIG000320 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.814 4.115 0.970 0.00 0.00 +0.129 A ATOM 2 C LIG 1 0.817 3.669 2.306 0.00 0.00 +0.024 A ATOM 3 C LIG 1 1.199 4.583 3.301 0.00 0.00 +0.012 A ATOM 4 C LIG 1 1.584 5.885 2.970 0.00 0.00 +0.001 A ATOM 5 C LIG 1 1.592 6.297 1.637 0.00 0.00 +0.004 A ATOM 6 C LIG 1 1.214 5.409 0.632 0.00 0.00 +0.046 A ENDROOT BRANCH 2 7 ATOM 7 C LIG 1 0.428 2.300 2.664 0.00 0.00 -0.009 A ATOM 8 C LIG 1 1.172 1.195 2.265 0.00 0.00 -0.010 A ATOM 9 C LIG 1 2.458 1.136 1.509 0.00 0.00 +0.145 C ATOM 10 N LIG 1 2.663 -0.294 1.310 0.00 0.00 -0.282 N ATOM 11 C LIG 1 1.633 -1.041 1.869 0.00 0.00 +0.248 C ATOM 12 O LIG 1 1.452 -2.241 1.808 0.00 0.00 -0.270 OA ATOM 13 C LIG 1 0.719 -0.098 2.520 0.00 0.00 +0.042 A ATOM 14 C LIG 1 -0.454 -0.363 3.200 0.00 0.00 +0.013 A ATOM 15 C LIG 1 -1.193 0.731 3.645 0.00 0.00 +0.001 A ATOM 16 C LIG 1 -0.760 2.044 3.377 0.00 0.00 +0.009 A BRANCH 10 17 ATOM 17 C LIG 1 3.499 -0.776 0.211 0.00 0.00 +0.164 C ATOM 18 C LIG 1 2.713 -0.733 -1.117 0.00 0.00 +0.242 C ATOM 19 O LIG 1 1.929 0.191 -1.361 0.00 0.00 -0.273 OA ATOM 20 N LIG 1 3.030 -1.716 -2.056 0.00 0.00 -0.244 N ATOM 21 C LIG 1 2.252 -1.736 -3.281 0.00 0.00 +0.141 C ATOM 22 C LIG 1 4.159 -2.533 -2.015 0.00 0.00 +0.222 C ATOM 23 O LIG 1 4.546 -3.197 -2.977 0.00 0.00 -0.275 OA ATOM 24 C LIG 1 4.978 -2.496 -0.744 0.00 0.00 +0.099 C ATOM 25 C LIG 1 4.113 -2.148 0.450 0.00 0.00 +0.041 C ENDBRANCH 10 17 ENDBRANCH 2 7 BRANCH 1 26 ATOM 26 O LIG 1 0.470 3.254 -0.045 0.00 0.00 -0.482 OA BRANCH 26 27 ATOM 27 C LIG 1 -0.900 3.415 -0.409 0.00 0.00 +0.326 C BRANCH 27 30 ATOM 28 N LIG 1 -0.855 1.016 -0.903 0.00 0.00 -0.204 N ATOM 29 H LIG 1 0.162 1.119 -0.826 0.00 0.00 +0.177 HD ATOM 30 C LIG 1 -1.648 2.084 -0.494 0.00 0.00 +0.270 C ATOM 31 O LIG 1 -2.859 2.029 -0.274 0.00 0.00 -0.270 OA BRANCH 28 33 ATOM 32 C LIG 1 -2.475 -0.564 -1.281 0.00 0.00 +0.158 C ATOM 33 N LIG 1 -1.265 -0.298 -0.904 0.00 0.00 -0.186 NA BRANCH 32 36 ATOM 34 C LIG 1 -1.035 -3.265 -0.191 0.00 0.00 +0.068 C ATOM 35 C LIG 1 -2.366 -3.083 -0.820 0.00 0.00 +0.066 A ATOM 36 C LIG 1 -2.970 -1.915 -1.271 0.00 0.00 +0.088 A ATOM 37 N LIG 1 -4.212 -2.318 -1.730 0.00 0.00 -0.298 N ATOM 38 C LIG 1 -4.281 -3.698 -1.554 0.00 0.00 +0.138 A ATOM 39 C LIG 1 -5.474 -4.356 -1.967 0.00 0.00 +0.047 A ATOM 40 C LIG 1 -6.483 -3.643 -2.503 0.00 0.00 +0.005 A ATOM 41 C LIG 1 -6.385 -2.204 -2.672 0.00 0.00 +0.018 A ATOM 42 C LIG 1 -5.261 -1.576 -2.285 0.00 0.00 +0.093 A ATOM 43 N LIG 1 -3.185 -4.173 -1.010 0.00 0.00 -0.232 NA ENDBRANCH 32 36 ENDBRANCH 28 33 ENDBRANCH 27 30 ENDBRANCH 26 27 ENDBRANCH 1 26 TORSDOF 7