REMARK Name = LIG000356 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.559 0.957 1.421 0.00 0.00 +0.250 C ATOM 2 N LIG 1 -3.092 0.271 0.295 0.00 0.00 -0.288 N ATOM 3 C LIG 1 -3.929 -0.623 -0.547 0.00 0.00 +0.100 C ATOM 4 C LIG 1 -3.555 -0.498 -2.029 0.00 0.00 +0.166 C ATOM 5 N LIG 1 -2.122 -0.451 -2.206 0.00 0.00 -0.264 N ATOM 6 C LIG 1 -1.223 -0.118 -1.234 0.00 0.00 +0.064 A ATOM 7 C LIG 1 0.011 -0.168 -1.853 0.00 0.00 +0.024 A ATOM 8 C LIG 1 -0.266 -0.528 -3.189 0.00 0.00 +0.143 A ATOM 9 N LIG 1 -1.572 -0.716 -3.403 0.00 0.00 -0.179 NA ATOM 10 C LIG 1 -1.637 0.199 0.155 0.00 0.00 +0.163 C ATOM 11 O LIG 1 -2.771 1.428 2.251 0.00 0.00 -0.272 OA ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 1.269 0.118 -1.207 0.00 0.00 -0.015 A ATOM 13 C LIG 1 1.871 -0.845 -0.388 0.00 0.00 +0.009 A ATOM 14 C LIG 1 3.094 -0.573 0.229 0.00 0.00 +0.013 A ATOM 15 C LIG 1 3.718 0.662 0.014 0.00 0.00 +0.037 A ATOM 16 C LIG 1 3.107 1.637 -0.781 0.00 0.00 +0.013 A ATOM 17 C LIG 1 1.887 1.359 -1.400 0.00 0.00 +0.009 A BRANCH 15 18 ATOM 18 C LIG 1 5.011 0.972 0.670 0.00 0.00 +0.251 C ATOM 19 N LIG 1 6.106 0.130 0.402 0.00 0.00 -0.267 N ATOM 20 C LIG 1 7.271 0.074 1.254 0.00 0.00 +0.040 A ATOM 21 C LIG 1 8.416 -0.646 0.848 0.00 0.00 -0.026 A ATOM 22 C LIG 1 9.536 -0.741 1.696 0.00 0.00 +0.005 A ATOM 23 C LIG 1 9.542 -0.115 2.938 0.00 0.00 +0.000 A ATOM 24 C LIG 1 8.425 0.599 3.347 0.00 0.00 +0.002 A ATOM 25 C LIG 1 8.481 -1.363 -0.474 0.00 0.00 +0.038 C ATOM 26 C LIG 1 7.483 -0.784 -1.454 0.00 0.00 +0.024 C ATOM 27 C LIG 1 7.302 0.687 2.517 0.00 0.00 +0.024 A ATOM 28 C LIG 1 6.118 -0.725 -0.794 0.00 0.00 +0.114 C ATOM 29 O LIG 1 5.008 1.964 1.395 0.00 0.00 -0.270 OA ENDBRANCH 15 18 ENDBRANCH 7 12 BRANCH 3 30 ATOM 30 C LIG 1 -3.998 -2.080 0.014 0.00 0.00 +0.005 C ATOM 31 C LIG 1 -2.823 -2.993 -0.344 0.00 0.00 +0.009 C ATOM 32 C LIG 1 -5.301 -2.762 -0.433 0.00 0.00 +0.009 C ENDBRANCH 3 30 BRANCH 1 33 ATOM 33 C LIG 1 -5.087 1.177 1.630 0.00 0.00 +0.236 C BRANCH 33 34 ATOM 34 C LIG 1 -5.670 2.034 0.539 0.00 0.00 +0.027 A ATOM 35 C LIG 1 -6.905 1.931 -0.075 0.00 0.00 +0.114 A ATOM 36 N LIG 1 -6.968 2.937 -0.992 0.00 0.00 -0.274 N ATOM 37 C LIG 1 -8.064 3.240 -1.879 0.00 0.00 +0.172 C ATOM 38 N LIG 1 -5.860 3.696 -1.024 0.00 0.00 -0.180 NA ATOM 39 C LIG 1 -5.080 3.162 -0.082 0.00 0.00 +0.141 A ENDBRANCH 33 34 BRANCH 33 41 ATOM 40 C LIG 1 -5.702 -0.570 3.102 0.00 0.00 +0.195 C ATOM 41 O LIG 1 -5.817 -0.044 1.786 0.00 0.00 -0.366 OA ENDBRANCH 33 41 ENDBRANCH 1 33 TORSDOF 6