REMARK Name = LIG001393 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.100 -0.224 0.201 0.00 0.00 +0.219 A ATOM 2 N LIG 1 -3.654 0.982 0.402 0.00 0.00 -0.195 NA ATOM 3 C LIG 1 -2.745 1.966 0.413 0.00 0.00 +0.167 A ATOM 4 C LIG 1 -1.379 1.842 0.238 0.00 0.00 +0.148 A ATOM 5 N LIG 1 -0.757 3.071 0.325 0.00 0.00 -0.231 NA ATOM 6 C LIG 1 -1.734 3.926 0.539 0.00 0.00 +0.201 A ATOM 7 C LIG 1 -0.888 0.544 0.026 0.00 0.00 +0.152 A ATOM 8 N LIG 1 -2.956 3.306 0.601 0.00 0.00 -0.312 N ATOM 9 N LIG 1 -1.788 -0.474 0.019 0.00 0.00 -0.197 NA ENDROOT BRANCH 8 10 ATOM 10 C LIG 1 -4.244 3.946 0.828 0.00 0.00 +0.084 C ATOM 11 C LIG 1 -4.304 4.618 2.200 0.00 0.00 +0.030 C ATOM 12 C LIG 1 -4.589 4.930 -0.289 0.00 0.00 +0.030 C ENDBRANCH 8 10 BRANCH 1 13 ATOM 13 N LIG 1 -4.007 -1.281 0.194 0.00 0.00 -0.308 N ATOM 14 H LIG 1 -4.912 -0.845 0.049 0.00 0.00 +0.149 HD BRANCH 13 15 ATOM 15 CA LIG 1 -3.677 -2.381 -0.727 0.00 0.00 +0.098 C BRANCH 15 17 ATOM 16 C LIG 1 -5.706 -2.112 -2.256 0.00 0.00 +0.006 C ATOM 17 C LIG 1 -4.987 -3.006 -1.252 0.00 0.00 +0.021 C ENDBRANCH 15 17 BRANCH 15 18 ATOM 18 C LIG 1 -2.861 -3.445 0.043 0.00 0.00 +0.178 C BRANCH 18 19 ATOM 19 O LIG 1 -3.552 -3.838 1.231 0.00 0.00 -0.393 OA ATOM 20 H LIG 1 -3.829 -2.990 1.634 0.00 0.00 +0.209 HD ENDBRANCH 18 19 ENDBRANCH 15 18 ENDBRANCH 13 15 ENDBRANCH 1 13 BRANCH 7 21 ATOM 21 N LIG 1 0.473 0.299 -0.184 0.00 0.00 -0.323 N ATOM 22 H LIG 1 1.023 1.104 0.112 0.00 0.00 +0.148 HD BRANCH 21 23 ATOM 23 C LIG 1 0.942 -0.975 0.326 0.00 0.00 +0.138 C BRANCH 23 24 ATOM 24 C LIG 1 2.447 -1.036 0.201 0.00 0.00 -0.030 A ATOM 25 C LIG 1 3.049 -1.162 -1.056 0.00 0.00 +0.006 A ATOM 26 C LIG 1 4.442 -1.214 -1.176 0.00 0.00 +0.010 A ATOM 27 C LIG 1 5.281 -1.129 -0.050 0.00 0.00 +0.004 A ATOM 28 C LIG 1 4.661 -1.006 1.205 0.00 0.00 +0.010 A ATOM 29 C LIG 1 3.267 -0.954 1.331 0.00 0.00 +0.006 A BRANCH 27 30 ATOM 30 C LIG 1 6.752 -1.194 -0.205 0.00 0.00 +0.112 A ATOM 31 C LIG 1 7.662 -0.417 0.526 0.00 0.00 +0.143 A ATOM 32 C LIG 1 9.030 -0.567 0.296 0.00 0.00 +0.049 A ATOM 33 C LIG 1 9.464 -1.481 -0.657 0.00 0.00 +0.023 A ATOM 34 C LIG 1 8.511 -2.206 -1.348 0.00 0.00 +0.111 A ATOM 35 N LIG 1 7.182 -2.081 -1.148 0.00 0.00 -0.251 NA BRANCH 31 36 ATOM 36 O LIG 1 7.240 0.504 1.446 0.00 0.00 -0.505 OA ATOM 37 H LIG 1 8.004 1.009 1.767 0.00 0.00 +0.292 HD ENDBRANCH 31 36 ENDBRANCH 27 30 ENDBRANCH 23 24 ENDBRANCH 21 23 ENDBRANCH 7 21 TORSDOF 11