REMARK Name = LIG001856 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.100 -0.739 3.994 0.00 0.00 +0.101 C ENDROOT BRANCH 1 4 ATOM 2 N LIG 1 -1.478 -0.780 2.176 0.00 0.00 -0.285 N ATOM 3 H LIG 1 -1.853 0.003 2.696 0.00 0.00 +0.155 HD ATOM 4 C LIG 1 -0.354 -1.399 2.700 0.00 0.00 +0.218 C ATOM 5 O LIG 1 0.204 -2.390 2.246 0.00 0.00 -0.275 OA BRANCH 2 10 ATOM 6 C LIG 1 -4.496 -1.994 -2.578 0.00 0.00 +0.047 C ATOM 7 C LIG 1 -3.720 -1.650 -1.333 0.00 0.00 -0.011 A ATOM 8 C LIG 1 -4.079 -0.589 -0.477 0.00 0.00 +0.036 A ATOM 9 C LIG 1 -3.302 -0.357 0.678 0.00 0.00 +0.046 A ATOM 10 C LIG 1 -2.173 -1.117 0.994 0.00 0.00 +0.037 A ATOM 11 C LIG 1 -1.799 -2.134 0.128 0.00 0.00 +0.043 A ATOM 12 C LIG 1 -2.558 -2.392 -1.021 0.00 0.00 +0.047 A ATOM 13 CL LIG 1 -1.988 -3.665 -2.054 0.00 0.00 -0.083 Cl BRANCH 8 14 ATOM 14 N LIG 1 -5.155 0.288 -0.653 0.00 0.00 -0.327 N ATOM 15 C LIG 1 -5.156 1.118 -1.870 0.00 0.00 +0.120 C ATOM 16 C LIG 1 -6.236 2.223 -1.760 0.00 0.00 +0.103 C ATOM 17 N LIG 1 -7.597 1.750 -1.413 0.00 0.00 -0.302 NA ATOM 18 C LIG 1 -8.219 1.038 -2.527 0.00 0.00 +0.105 C ATOM 19 C LIG 1 -7.516 0.901 -0.202 0.00 0.00 +0.103 C ATOM 20 C LIG 1 -6.471 -0.241 -0.253 0.00 0.00 +0.120 C ENDBRANCH 8 14 ENDBRANCH 2 10 ENDBRANCH 1 4 BRANCH 1 21 ATOM 21 C LIG 1 1.558 -1.039 4.339 0.00 0.00 +0.044 C BRANCH 21 22 ATOM 22 C LIG 1 2.526 -0.217 3.517 0.00 0.00 -0.046 A ATOM 23 C LIG 1 3.118 -0.762 2.369 0.00 0.00 +0.017 A ATOM 24 C LIG 1 3.984 0.040 1.649 0.00 0.00 +0.042 A ATOM 25 C LIG 1 4.742 -0.273 0.432 0.00 0.00 +0.248 C ATOM 26 N LIG 1 5.398 0.891 0.056 0.00 0.00 -0.282 N ATOM 27 C LIG 1 5.262 1.937 1.060 0.00 0.00 +0.144 C ATOM 28 O LIG 1 4.782 -1.364 -0.103 0.00 0.00 -0.270 OA ATOM 29 C LIG 1 4.283 1.349 2.019 0.00 0.00 -0.018 A ATOM 30 C LIG 1 3.709 1.903 3.148 0.00 0.00 +0.006 A ATOM 31 C LIG 1 2.826 1.113 3.895 0.00 0.00 +0.004 A BRANCH 26 32 ATOM 32 C LIG 1 6.430 0.956 -0.973 0.00 0.00 +0.163 C ATOM 33 C LIG 1 7.752 0.350 -0.476 0.00 0.00 +0.240 C ATOM 34 O LIG 1 8.122 0.397 0.697 0.00 0.00 -0.273 OA ATOM 35 N LIG 1 8.587 -0.152 -1.447 0.00 0.00 -0.255 N ATOM 36 H LIG 1 9.472 -0.516 -1.121 0.00 0.00 +0.158 HD ATOM 37 C LIG 1 8.431 -0.085 -2.808 0.00 0.00 +0.219 C ATOM 38 O LIG 1 9.339 -0.415 -3.566 0.00 0.00 -0.275 OA ATOM 39 C LIG 1 7.136 0.505 -3.315 0.00 0.00 +0.098 C ATOM 40 C LIG 1 6.015 0.328 -2.303 0.00 0.00 +0.041 C ENDBRANCH 26 32 ENDBRANCH 21 22 ENDBRANCH 1 21 TORSDOF 6