REMARK Name = LIG001202 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.308 -4.098 0.162 0.00 0.00 +0.091 A ATOM 2 C LIG 1 -2.235 -2.783 -0.364 0.00 0.00 +0.118 A ATOM 3 C LIG 1 -0.959 -2.345 -0.074 0.00 0.00 +0.124 A ATOM 4 C LIG 1 -0.543 -1.078 -0.441 0.00 0.00 +0.149 A ATOM 5 N LIG 1 -1.440 -0.331 -1.120 0.00 0.00 -0.205 NA ATOM 6 C LIG 1 -2.673 -0.821 -1.369 0.00 0.00 +0.191 A ATOM 7 N LIG 1 -0.352 -3.393 0.551 0.00 0.00 -0.272 N ATOM 8 H LIG 1 0.607 -3.450 0.873 0.00 0.00 +0.189 HD ATOM 9 N LIG 1 -3.140 -2.026 -1.013 0.00 0.00 -0.218 NA ATOM 10 N LIG 1 -1.149 -4.463 0.736 0.00 0.00 -0.176 NA ENDROOT BRANCH 1 12 ATOM 11 C LIG 1 -3.160 -6.347 -0.569 0.00 0.00 +0.014 C ATOM 12 C LIG 1 -3.489 -5.026 0.130 0.00 0.00 +0.035 C ATOM 13 C LIG 1 -4.041 -5.281 1.535 0.00 0.00 +0.014 C ENDBRANCH 1 12 BRANCH 4 14 ATOM 14 N LIG 1 0.725 -0.595 -0.143 0.00 0.00 -0.323 N ATOM 15 H LIG 1 1.096 -0.944 0.732 0.00 0.00 +0.148 HD BRANCH 14 16 ATOM 16 C LIG 1 0.905 0.841 -0.305 0.00 0.00 +0.138 C BRANCH 16 17 ATOM 17 C LIG 1 2.302 1.214 0.135 0.00 0.00 -0.030 A ATOM 18 C LIG 1 2.510 2.035 1.252 0.00 0.00 +0.007 A ATOM 19 C LIG 1 3.807 2.365 1.666 0.00 0.00 +0.028 A ATOM 20 C LIG 1 4.916 1.878 0.963 0.00 0.00 +0.065 A ATOM 21 C LIG 1 4.711 1.058 -0.157 0.00 0.00 +0.028 A ATOM 22 C LIG 1 3.416 0.732 -0.567 0.00 0.00 +0.007 A BRANCH 20 23 ATOM 23 N LIG 1 6.245 2.193 1.364 0.00 0.00 -0.240 N ATOM 24 N LIG 1 7.316 1.714 0.674 0.00 0.00 -0.175 NA ATOM 25 C LIG 1 8.380 2.181 1.327 0.00 0.00 +0.135 A ATOM 26 C LIG 1 8.029 2.964 2.433 0.00 0.00 +0.041 A ATOM 27 C LIG 1 6.654 2.969 2.430 0.00 0.00 +0.114 A ENDBRANCH 20 23 ENDBRANCH 16 17 ENDBRANCH 14 16 ENDBRANCH 4 14 BRANCH 6 28 ATOM 28 S LIG 1 -3.829 0.213 -2.249 0.00 0.00 -0.084 S BRANCH 28 29 ATOM 29 C LIG 1 -2.921 1.797 -2.318 0.00 0.00 +0.097 C BRANCH 29 30 ATOM 30 C LIG 1 -2.844 2.557 -0.972 0.00 0.00 +0.075 C BRANCH 30 31 ATOM 31 N LIG 1 -1.915 3.709 -1.101 0.00 0.00 -0.326 NA ATOM 32 H LIG 1 -1.005 3.369 -1.412 0.00 0.00 +0.119 HD ATOM 33 H LIG 1 -2.248 4.323 -1.843 0.00 0.00 +0.119 HD ENDBRANCH 30 31 BRANCH 30 34 ATOM 34 C LIG 1 -4.231 3.053 -0.467 0.00 0.00 +0.097 C BRANCH 34 35 ATOM 35 N LIG 1 -4.716 4.268 -1.133 0.00 0.00 -0.328 NA ATOM 36 H LIG 1 -4.742 4.130 -2.139 0.00 0.00 +0.118 HD ATOM 37 H LIG 1 -4.037 5.009 -0.951 0.00 0.00 +0.118 HD ENDBRANCH 34 35 ENDBRANCH 30 34 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 6 28 TORSDOF 11