REMARK Name = LIG000292 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.686 1.280 -2.333 0.00 0.00 +0.032 A ATOM 2 C LIG 1 -2.796 0.145 -1.528 0.00 0.00 +0.023 A ATOM 3 C LIG 1 -1.697 -0.349 -0.812 0.00 0.00 +0.006 A ATOM 4 C LIG 1 -0.448 0.278 -0.890 0.00 0.00 -0.044 A ATOM 5 C LIG 1 -0.325 1.403 -1.711 0.00 0.00 +0.006 A ATOM 6 C LIG 1 -1.427 1.890 -2.423 0.00 0.00 +0.023 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 0.761 -0.249 -0.141 0.00 0.00 +0.021 C ATOM 8 C LIG 1 0.527 -0.382 1.368 0.00 0.00 +0.023 C ATOM 9 C LIG 1 1.817 -0.821 2.074 0.00 0.00 +0.085 C ATOM 10 N LIG 1 2.575 -1.899 1.407 0.00 0.00 -0.296 NA ATOM 11 C LIG 1 1.790 -2.538 0.341 0.00 0.00 +0.085 C ATOM 12 C LIG 1 1.270 -1.576 -0.733 0.00 0.00 +0.023 C BRANCH 10 13 ATOM 13 C LIG 1 3.855 -1.377 0.874 0.00 0.00 +0.091 C ATOM 14 C LIG 1 4.868 -1.119 2.014 0.00 0.00 +0.125 C ATOM 15 N LIG 1 5.821 -1.870 1.249 0.00 0.00 -0.327 N ATOM 16 C LIG 1 4.808 -2.523 0.473 0.00 0.00 +0.125 C BRANCH 15 17 ATOM 17 C LIG 1 7.164 -1.595 0.939 0.00 0.00 +0.031 A ATOM 18 C LIG 1 7.891 -0.647 1.675 0.00 0.00 +0.037 A ATOM 19 C LIG 1 9.208 -0.416 1.319 0.00 0.00 +0.051 A ATOM 20 C LIG 1 10.194 0.504 1.880 0.00 0.00 +0.255 C ATOM 21 N LIG 1 11.354 0.319 1.175 0.00 0.00 -0.222 N ATOM 22 C LIG 1 11.184 -0.590 0.166 0.00 0.00 +0.254 C ATOM 23 O LIG 1 11.968 -0.937 -0.697 0.00 0.00 -0.270 OA ATOM 24 O LIG 1 9.976 1.266 2.802 0.00 0.00 -0.270 OA ATOM 25 C LIG 1 9.816 -1.089 0.278 0.00 0.00 +0.050 A ATOM 26 C LIG 1 9.147 -2.038 -0.462 0.00 0.00 +0.015 A ATOM 27 C LIG 1 7.814 -2.291 -0.114 0.00 0.00 +0.024 A BRANCH 21 28 ATOM 28 C LIG 1 12.522 1.170 1.345 0.00 0.00 +0.171 C ATOM 29 C LIG 1 12.501 2.277 0.285 0.00 0.00 +0.240 C ATOM 30 O LIG 1 11.484 2.652 -0.295 0.00 0.00 -0.273 OA ATOM 31 N LIG 1 13.707 2.901 0.052 0.00 0.00 -0.255 N ATOM 32 H LIG 1 13.693 3.646 -0.631 0.00 0.00 +0.158 HD ATOM 33 C LIG 1 14.945 2.546 0.526 0.00 0.00 +0.219 C ATOM 34 O LIG 1 15.953 3.158 0.185 0.00 0.00 -0.275 OA ATOM 35 C LIG 1 14.988 1.414 1.528 0.00 0.00 +0.098 C ATOM 36 C LIG 1 13.854 0.427 1.298 0.00 0.00 +0.041 C ENDBRANCH 21 28 ENDBRANCH 15 17 ENDBRANCH 10 13 ENDBRANCH 4 7 BRANCH 1 37 ATOM 37 N LIG 1 -3.741 1.807 -3.097 0.00 0.00 -0.298 N ATOM 38 H LIG 1 -3.496 2.666 -3.596 0.00 0.00 +0.154 HD BRANCH 37 41 ATOM 39 C LIG 1 -7.037 0.561 -2.149 0.00 0.00 +0.142 A ATOM 40 N LIG 1 -5.697 0.775 -2.144 0.00 0.00 -0.213 NA ATOM 41 C LIG 1 -5.141 1.609 -3.064 0.00 0.00 +0.156 A ATOM 42 C LIG 1 -5.976 2.220 -4.016 0.00 0.00 +0.165 A ATOM 43 N LIG 1 -7.324 2.015 -4.086 0.00 0.00 -0.244 NA ATOM 44 C LIG 1 -7.810 1.173 -3.143 0.00 0.00 +0.155 A BRANCH 39 47 ATOM 45 C LIG 1 -9.609 -1.158 -0.047 0.00 0.00 +0.095 C ATOM 46 C LIG 1 -8.846 0.095 -0.557 0.00 0.00 +0.129 C ATOM 47 N LIG 1 -7.594 -0.311 -1.207 0.00 0.00 -0.312 N ATOM 48 C LIG 1 -6.613 -0.966 -0.326 0.00 0.00 +0.106 C ATOM 49 C LIG 1 -7.298 -1.760 0.794 0.00 0.00 +0.021 C ATOM 50 C LIG 1 -8.658 -2.297 0.364 0.00 0.00 +0.025 C BRANCH 45 55 ATOM 51 C LIG 1 -13.605 0.923 2.003 0.00 0.00 +0.133 C ATOM 52 N LIG 1 -12.271 0.390 1.884 0.00 0.00 -0.287 N ATOM 53 C LIG 1 -11.742 -0.087 0.684 0.00 0.00 +0.305 C ATOM 54 O LIG 1 -12.190 0.100 -0.435 0.00 0.00 -0.252 OA ATOM 55 N LIG 1 -10.577 -0.808 0.996 0.00 0.00 -0.279 N ATOM 56 C LIG 1 -10.237 -0.601 2.392 0.00 0.00 +0.128 C ATOM 57 C LIG 1 -11.559 -0.166 3.010 0.00 0.00 +0.128 C ENDBRANCH 45 55 ENDBRANCH 39 47 BRANCH 42 58 ATOM 58 C LIG 1 -5.433 3.191 -5.019 0.00 0.00 +0.263 C ATOM 59 O LIG 1 -4.276 3.598 -4.996 0.00 0.00 -0.269 OA ATOM 60 N LIG 1 -6.326 3.627 -5.963 0.00 0.00 -0.324 N ATOM 61 H LIG 1 -7.292 3.320 -5.914 0.00 0.00 +0.145 HD ATOM 62 H LIG 1 -6.044 4.318 -6.642 0.00 0.00 +0.145 HD ENDBRANCH 42 58 ENDBRANCH 37 41 ENDBRANCH 1 37 TORSDOF 9