REMARK Name = LIG000384 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.749 -0.763 -0.430 0.00 0.00 -0.299 N ATOM 2 H LIG 1 -0.564 -0.154 -1.224 0.00 0.00 +0.154 HD ENDROOT BRANCH 1 8 ATOM 3 N LIG 1 -5.060 0.118 -0.613 0.00 0.00 -0.282 N ATOM 4 C LIG 1 -5.432 -1.170 -0.965 0.00 0.00 +0.248 C ATOM 5 O LIG 1 -6.550 -1.617 -1.131 0.00 0.00 -0.270 OA ATOM 6 C LIG 1 -4.196 -1.950 -1.091 0.00 0.00 +0.043 A ATOM 7 C LIG 1 -3.125 -1.132 -0.730 0.00 0.00 +0.003 A ATOM 8 C LIG 1 -1.827 -1.622 -0.733 0.00 0.00 +0.038 A ATOM 9 C LIG 1 -1.647 -2.948 -1.166 0.00 0.00 +0.023 A ATOM 10 C LIG 1 -2.739 -3.763 -1.526 0.00 0.00 +0.003 A ATOM 11 C LIG 1 -4.038 -3.264 -1.485 0.00 0.00 +0.013 A ATOM 12 C LIG 1 -3.635 0.211 -0.327 0.00 0.00 +0.146 C BRANCH 3 19 ATOM 13 O LIG 1 -9.518 2.726 1.308 0.00 0.00 -0.275 OA ATOM 14 C LIG 1 -8.511 2.207 0.836 0.00 0.00 +0.219 C ATOM 15 N LIG 1 -7.708 1.397 1.601 0.00 0.00 -0.255 N ATOM 16 H LIG 1 -8.018 1.234 2.549 0.00 0.00 +0.158 HD ATOM 17 C LIG 1 -6.488 0.857 1.266 0.00 0.00 +0.240 C ATOM 18 O LIG 1 -5.814 0.273 2.115 0.00 0.00 -0.273 OA ATOM 19 C LIG 1 -5.992 1.146 -0.159 0.00 0.00 +0.163 C ATOM 20 C LIG 1 -7.173 1.365 -1.104 0.00 0.00 +0.041 C ATOM 21 C LIG 1 -8.041 2.494 -0.571 0.00 0.00 +0.098 C ENDBRANCH 3 19 ENDBRANCH 1 8 BRANCH 1 22 ATOM 22 C LIG 1 0.459 -1.203 0.080 0.00 0.00 +0.123 C ATOM 23 C LIG 1 0.485 -2.143 1.237 0.00 0.00 +0.058 C ATOM 24 C LIG 1 1.687 -2.555 1.629 0.00 0.00 +0.074 C ATOM 25 N LIG 1 2.838 -2.185 0.992 0.00 0.00 -0.314 N ATOM 26 H LIG 1 3.610 -2.007 1.629 0.00 0.00 +0.149 HD ATOM 27 C LIG 1 2.823 -1.146 -0.002 0.00 0.00 +0.282 C ATOM 28 N LIG 1 1.516 -0.704 -0.482 0.00 0.00 -0.229 NA BRANCH 27 29 ATOM 29 N LIG 1 3.535 -0.039 0.583 0.00 0.00 -0.308 N ATOM 30 H LIG 1 2.977 0.790 0.416 0.00 0.00 +0.150 HD BRANCH 29 31 ATOM 31 C LIG 1 4.889 0.179 0.304 0.00 0.00 +0.030 A ATOM 32 C LIG 1 5.397 1.480 0.461 0.00 0.00 +0.027 A ATOM 33 C LIG 1 6.750 1.718 0.273 0.00 0.00 -0.042 A ATOM 34 C LIG 1 7.474 3.025 0.337 0.00 0.00 +0.036 C ATOM 35 C LIG 1 8.931 2.554 0.463 0.00 0.00 +0.009 C ATOM 36 C LIG 1 9.016 1.193 -0.243 0.00 0.00 +0.036 C ATOM 37 C LIG 1 7.624 0.680 -0.051 0.00 0.00 -0.044 A ATOM 38 C LIG 1 7.163 -0.615 -0.181 0.00 0.00 +0.006 A ATOM 39 C LIG 1 5.798 -0.861 0.020 0.00 0.00 +0.023 A ENDBRANCH 29 31 ENDBRANCH 27 29 ENDBRANCH 1 22 TORSDOF 5