REMARK Name = LIG001328 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.060 1.087 0.114 0.00 0.00 -0.298 N ATOM 2 H LIG 1 -0.383 2.052 0.079 0.00 0.00 +0.154 HD ENDROOT BRANCH 1 10 ATOM 3 C LIG 1 -3.508 -0.138 -0.401 0.00 0.00 +0.226 C ATOM 4 N LIG 1 -3.314 -1.564 -0.089 0.00 0.00 -0.304 N ATOM 5 H LIG 1 -4.092 -2.152 -0.369 0.00 0.00 +0.150 HD ATOM 6 C LIG 1 -2.036 -1.963 -0.093 0.00 0.00 +0.128 A ATOM 7 C LIG 1 -0.950 -1.136 -0.074 0.00 0.00 +0.143 A ATOM 8 N LIG 1 0.214 -1.870 -0.099 0.00 0.00 -0.231 NA ATOM 9 C LIG 1 -0.189 -3.127 -0.103 0.00 0.00 +0.198 A ATOM 10 C LIG 1 -1.177 0.295 -0.044 0.00 0.00 +0.149 C ATOM 11 N LIG 1 -1.559 -3.232 -0.101 0.00 0.00 -0.333 N ATOM 12 H LIG 1 -2.098 -4.085 -0.090 0.00 0.00 +0.168 HD ATOM 13 N LIG 1 -2.364 0.796 -0.179 0.00 0.00 -0.240 NA BRANCH 3 15 ATOM 14 C LIG 1 -6.005 0.418 -0.237 0.00 0.00 +0.127 A ATOM 15 C LIG 1 -4.736 0.330 0.369 0.00 0.00 +0.036 A ATOM 16 C LIG 1 -4.610 0.644 1.738 0.00 0.00 +0.011 A ATOM 17 C LIG 1 -5.710 1.062 2.483 0.00 0.00 +0.001 A ATOM 18 C LIG 1 -6.955 1.163 1.874 0.00 0.00 +0.004 A ATOM 19 C LIG 1 -7.104 0.839 0.523 0.00 0.00 +0.046 A BRANCH 14 21 ATOM 20 C LIG 1 -7.308 0.266 -2.231 0.00 0.00 +0.277 C ATOM 21 O LIG 1 -6.074 0.055 -1.557 0.00 0.00 -0.495 OA ENDBRANCH 14 21 ENDBRANCH 3 15 ENDBRANCH 1 10 BRANCH 1 22 ATOM 22 C LIG 1 0.733 0.956 1.280 0.00 0.00 +0.038 A ATOM 23 C LIG 1 2.083 0.665 1.187 0.00 0.00 +0.003 A ATOM 24 C LIG 1 2.914 0.390 -0.020 0.00 0.00 +0.146 C ATOM 25 N LIG 1 4.222 0.093 0.554 0.00 0.00 -0.282 N ATOM 26 C LIG 1 4.241 0.264 1.929 0.00 0.00 +0.248 C ATOM 27 O LIG 1 5.192 0.177 2.682 0.00 0.00 -0.270 OA ATOM 28 C LIG 1 2.868 0.582 2.336 0.00 0.00 +0.043 A ATOM 29 C LIG 1 2.365 0.785 3.606 0.00 0.00 +0.013 A ATOM 30 C LIG 1 1.006 1.079 3.715 0.00 0.00 +0.003 A ATOM 31 C LIG 1 0.199 1.165 2.564 0.00 0.00 +0.023 A BRANCH 25 32 ATOM 32 C LIG 1 5.439 -0.016 -0.238 0.00 0.00 +0.163 C ATOM 33 C LIG 1 5.857 1.332 -0.848 0.00 0.00 +0.240 C ATOM 34 O LIG 1 5.399 2.423 -0.513 0.00 0.00 -0.273 OA ATOM 35 N LIG 1 6.818 1.259 -1.832 0.00 0.00 -0.255 N ATOM 36 H LIG 1 7.081 2.148 -2.238 0.00 0.00 +0.158 HD ATOM 37 C LIG 1 7.113 0.162 -2.600 0.00 0.00 +0.219 C ATOM 38 O LIG 1 7.742 0.273 -3.648 0.00 0.00 -0.275 OA ATOM 39 C LIG 1 6.651 -1.177 -2.074 0.00 0.00 +0.098 C ATOM 40 C LIG 1 5.318 -1.052 -1.352 0.00 0.00 +0.041 C ENDBRANCH 25 32 ENDBRANCH 1 22 TORSDOF 5