REMARK Name = LIG001889 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.251 1.338 2.175 0.00 0.00 -0.023 A ATOM 2 C LIG 1 0.118 0.532 1.949 0.00 0.00 +0.029 A ATOM 3 C LIG 1 -0.944 0.934 1.116 0.00 0.00 +0.032 A ATOM 4 C LIG 1 -0.843 2.165 0.470 0.00 0.00 +0.023 A ATOM 5 C LIG 1 0.267 2.985 0.669 0.00 0.00 +0.002 A ATOM 6 C LIG 1 1.302 2.576 1.510 0.00 0.00 +0.006 A ENDROOT BRANCH 1 7 ATOM 7 C LIG 1 2.404 0.903 3.096 0.00 0.00 +0.056 C ATOM 8 C LIG 1 2.207 -0.465 3.795 0.00 0.00 +0.036 C ATOM 9 C LIG 1 2.528 1.938 4.243 0.00 0.00 +0.036 C BRANCH 7 13 ATOM 10 N LIG 1 5.201 0.299 0.795 0.00 0.00 -0.269 N ATOM 11 H LIG 1 5.812 0.829 1.399 0.00 0.00 +0.156 HD ATOM 12 C LIG 1 3.956 0.027 1.327 0.00 0.00 +0.305 C ATOM 13 N LIG 1 3.680 0.910 2.355 0.00 0.00 -0.290 N ATOM 14 H LIG 1 4.062 1.829 2.185 0.00 0.00 +0.151 HD ATOM 15 O LIG 1 3.203 -0.869 0.976 0.00 0.00 -0.252 OA BRANCH 10 21 ATOM 16 C LIG 1 7.829 -1.954 -3.779 0.00 0.00 +0.045 C ATOM 17 C LIG 1 7.105 -1.388 -2.591 0.00 0.00 -0.032 A ATOM 18 C LIG 1 5.735 -1.606 -2.380 0.00 0.00 +0.046 A ATOM 19 CL LIG 1 4.794 -2.540 -3.491 0.00 0.00 -0.083 Cl ATOM 20 C LIG 1 5.084 -1.063 -1.265 0.00 0.00 +0.043 A ATOM 21 C LIG 1 5.790 -0.293 -0.341 0.00 0.00 +0.036 A ATOM 22 C LIG 1 7.151 -0.058 -0.554 0.00 0.00 +0.024 A ATOM 23 C LIG 1 7.803 -0.603 -1.665 0.00 0.00 +0.006 A ENDBRANCH 10 21 ENDBRANCH 7 13 ENDBRANCH 1 7 BRANCH 3 24 ATOM 24 N LIG 1 -2.014 0.043 0.936 0.00 0.00 -0.310 N ATOM 25 H LIG 1 -2.246 -0.505 1.766 0.00 0.00 +0.152 HD BRANCH 24 26 ATOM 26 C LIG 1 -2.993 0.018 -0.021 0.00 0.00 +0.099 C ATOM 27 C LIG 1 -4.269 -0.703 0.254 0.00 0.00 +0.268 C ATOM 28 O LIG 1 -4.532 -1.245 1.317 0.00 0.00 -0.268 OA ATOM 29 N LIG 1 -5.029 -0.640 -0.866 0.00 0.00 -0.221 N ATOM 30 C LIG 1 -4.403 0.115 -1.799 0.00 0.00 +0.249 C ATOM 31 O LIG 1 -4.815 0.476 -2.886 0.00 0.00 -0.270 OA ATOM 32 C LIG 1 -3.088 0.477 -1.269 0.00 0.00 +0.096 C BRANCH 29 33 ATOM 33 C LIG 1 -6.412 -1.084 -0.920 0.00 0.00 +0.171 C ATOM 34 C LIG 1 -7.335 0.117 -0.689 0.00 0.00 +0.240 C ATOM 35 O LIG 1 -6.978 1.154 -0.131 0.00 0.00 -0.273 OA ATOM 36 N LIG 1 -8.640 -0.048 -1.096 0.00 0.00 -0.255 N ATOM 37 H LIG 1 -9.254 0.741 -0.937 0.00 0.00 +0.158 HD ATOM 38 C LIG 1 -9.162 -1.070 -1.848 0.00 0.00 +0.219 C ATOM 39 O LIG 1 -10.332 -1.048 -2.220 0.00 0.00 -0.275 OA ATOM 40 C LIG 1 -8.247 -2.239 -2.132 0.00 0.00 +0.098 C ATOM 41 C LIG 1 -6.794 -1.796 -2.216 0.00 0.00 +0.041 C ENDBRANCH 29 33 ENDBRANCH 24 26 ENDBRANCH 3 24 TORSDOF 6