REMARK Name = LIG001377 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -2.630 0.199 -1.359 0.00 0.00 -0.487 OA ENDROOT BRANCH 1 7 ATOM 2 N LIG 1 -6.542 -0.227 0.348 0.00 0.00 -0.281 N ATOM 3 C LIG 1 -6.687 -1.564 0.006 0.00 0.00 +0.248 C ATOM 4 O LIG 1 -7.649 -2.284 0.195 0.00 0.00 -0.270 OA ATOM 5 C LIG 1 -5.438 -1.974 -0.643 0.00 0.00 +0.045 A ATOM 6 C LIG 1 -4.610 -0.858 -0.738 0.00 0.00 +0.024 A ATOM 7 C LIG 1 -3.358 -0.953 -1.322 0.00 0.00 +0.126 A ATOM 8 C LIG 1 -2.957 -2.211 -1.789 0.00 0.00 +0.046 A ATOM 9 C LIG 1 -3.807 -3.333 -1.687 0.00 0.00 +0.004 A ATOM 10 C LIG 1 -5.071 -3.220 -1.110 0.00 0.00 +0.013 A ATOM 11 C LIG 1 -5.296 0.335 -0.161 0.00 0.00 +0.148 C BRANCH 2 18 ATOM 12 O LIG 1 -9.790 4.081 1.310 0.00 0.00 -0.275 OA ATOM 13 C LIG 1 -9.223 2.999 1.192 0.00 0.00 +0.219 C ATOM 14 N LIG 1 -9.216 2.329 -0.005 0.00 0.00 -0.255 N ATOM 15 H LIG 1 -9.633 2.836 -0.775 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 -8.327 1.346 -0.376 0.00 0.00 +0.240 C ATOM 17 O LIG 1 -8.103 1.132 -1.565 0.00 0.00 -0.273 OA ATOM 18 C LIG 1 -7.669 0.585 0.788 0.00 0.00 +0.163 C ATOM 19 C LIG 1 -7.280 1.581 1.877 0.00 0.00 +0.041 C ATOM 20 C LIG 1 -8.520 2.325 2.347 0.00 0.00 +0.098 C ENDBRANCH 2 18 ENDBRANCH 1 7 BRANCH 1 21 ATOM 21 C LIG 1 -1.457 0.233 -2.178 0.00 0.00 +0.264 C BRANCH 21 22 ATOM 22 C LIG 1 -0.218 -0.272 -1.474 0.00 0.00 -0.010 A ATOM 23 C LIG 1 -0.044 -0.106 -0.094 0.00 0.00 +0.007 A ATOM 24 C LIG 1 1.119 -0.554 0.534 0.00 0.00 +0.005 A ATOM 25 C LIG 1 2.141 -1.166 -0.205 0.00 0.00 -0.033 A ATOM 26 C LIG 1 1.976 -1.318 -1.587 0.00 0.00 +0.005 A ATOM 27 C LIG 1 0.811 -0.870 -2.216 0.00 0.00 +0.007 A BRANCH 25 28 ATOM 28 C LIG 1 3.398 -1.657 0.484 0.00 0.00 +0.119 C BRANCH 28 29 ATOM 29 N LIG 1 4.155 -0.587 1.153 0.00 0.00 -0.295 NA ATOM 30 C LIG 1 5.263 -1.143 1.967 0.00 0.00 +0.103 C ATOM 31 C LIG 1 6.668 -1.018 1.337 0.00 0.00 +0.122 C ATOM 32 N LIG 1 6.988 0.396 1.090 0.00 0.00 -0.313 N ATOM 33 C LIG 1 5.857 1.249 0.685 0.00 0.00 +0.122 C ATOM 34 C LIG 1 4.665 0.405 0.175 0.00 0.00 +0.103 C BRANCH 32 35 ATOM 35 C LIG 1 8.247 0.648 0.555 0.00 0.00 +0.121 A ATOM 36 N LIG 1 9.028 -0.397 0.198 0.00 0.00 -0.240 NA ATOM 37 C LIG 1 10.258 -0.147 -0.305 0.00 0.00 +0.113 A ATOM 38 C LIG 1 10.782 1.120 -0.471 0.00 0.00 +0.020 A ATOM 39 C LIG 1 9.995 2.194 -0.091 0.00 0.00 +0.005 A ATOM 40 C LIG 1 8.723 1.955 0.430 0.00 0.00 +0.043 A ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 21 22 ENDBRANCH 1 21 TORSDOF 7