REMARK Name = LIG001274 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.218 -1.362 0.027 0.00 0.00 +0.101 C ENDROOT BRANCH 1 4 ATOM 2 N LIG 1 -2.134 -1.014 -0.307 0.00 0.00 -0.285 N ATOM 3 H LIG 1 -1.897 -0.136 0.140 0.00 0.00 +0.155 HD ATOM 4 C LIG 1 -1.094 -1.909 -0.507 0.00 0.00 +0.218 C ATOM 5 O LIG 1 -1.175 -3.011 -1.035 0.00 0.00 -0.275 OA BRANCH 2 10 ATOM 6 C LIG 1 -7.708 -1.452 -1.701 0.00 0.00 +0.047 C ATOM 7 C LIG 1 -6.258 -1.310 -1.322 0.00 0.00 -0.011 A ATOM 8 C LIG 1 -5.737 -0.173 -0.672 0.00 0.00 +0.036 A ATOM 9 C LIG 1 -4.360 -0.124 -0.366 0.00 0.00 +0.046 A ATOM 10 C LIG 1 -3.490 -1.177 -0.662 0.00 0.00 +0.037 A ATOM 11 C LIG 1 -4.009 -2.310 -1.273 0.00 0.00 +0.043 A ATOM 12 C LIG 1 -5.372 -2.378 -1.591 0.00 0.00 +0.047 A ATOM 13 CL LIG 1 -5.924 -3.852 -2.323 0.00 0.00 -0.083 Cl BRANCH 8 14 ATOM 14 N LIG 1 -6.475 0.972 -0.271 0.00 0.00 -0.328 N ATOM 15 C LIG 1 -7.043 1.924 -1.210 0.00 0.00 +0.118 C ATOM 16 C LIG 1 -8.100 2.169 -0.193 0.00 0.00 +0.049 C ATOM 17 C LIG 1 -8.171 3.482 0.510 0.00 0.00 +0.172 C ATOM 18 O LIG 1 -9.565 3.632 0.102 0.00 0.00 -0.378 OA ATOM 19 C LIG 1 -9.518 2.355 -0.599 0.00 0.00 +0.172 C ATOM 20 C LIG 1 -7.674 0.950 0.548 0.00 0.00 +0.118 C ENDBRANCH 8 14 ENDBRANCH 2 10 ENDBRANCH 1 4 BRANCH 1 21 ATOM 21 C LIG 1 1.379 -2.321 -0.225 0.00 0.00 +0.044 C BRANCH 21 22 ATOM 22 C LIG 1 2.672 -1.778 0.335 0.00 0.00 -0.046 A ATOM 23 C LIG 1 3.440 -0.875 -0.413 0.00 0.00 +0.017 A ATOM 24 C LIG 1 4.605 -0.397 0.156 0.00 0.00 +0.042 A ATOM 25 C LIG 1 5.581 0.549 -0.394 0.00 0.00 +0.248 C ATOM 26 N LIG 1 6.628 0.632 0.518 0.00 0.00 -0.282 N ATOM 27 C LIG 1 6.300 -0.058 1.765 0.00 0.00 +0.144 C ATOM 28 O LIG 1 5.449 1.141 -1.447 0.00 0.00 -0.270 OA ATOM 29 C LIG 1 5.032 -0.768 1.427 0.00 0.00 -0.018 A ATOM 30 C LIG 1 4.284 -1.652 2.182 0.00 0.00 +0.006 A ATOM 31 C LIG 1 3.100 -2.156 1.629 0.00 0.00 +0.004 A BRANCH 26 32 ATOM 32 C LIG 1 7.681 1.649 0.419 0.00 0.00 +0.163 C ATOM 33 C LIG 1 8.654 1.607 1.609 0.00 0.00 +0.240 C ATOM 34 O LIG 1 8.348 2.004 2.733 0.00 0.00 -0.273 OA ATOM 35 N LIG 1 9.848 0.955 1.411 0.00 0.00 -0.255 N ATOM 36 H LIG 1 10.438 0.860 2.227 0.00 0.00 +0.158 HD ATOM 37 C LIG 1 10.216 0.201 0.326 0.00 0.00 +0.219 C ATOM 38 O LIG 1 11.195 -0.537 0.378 0.00 0.00 -0.275 OA ATOM 39 C LIG 1 9.322 0.276 -0.887 0.00 0.00 +0.098 C ATOM 40 C LIG 1 8.493 1.551 -0.878 0.00 0.00 +0.041 C ENDBRANCH 26 32 ENDBRANCH 21 22 ENDBRANCH 1 21 TORSDOF 6