REMARK Name = LIG001054 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.057 -1.134 -1.398 0.00 0.00 +0.210 A ATOM 2 C LIG 1 -1.217 -2.059 -1.517 0.00 0.00 +0.288 A ATOM 3 O LIG 1 -1.010 -3.265 -1.462 0.00 0.00 -0.265 OA ATOM 4 N LIG 1 -2.445 -1.453 -1.659 0.00 0.00 -0.253 N ATOM 5 C LIG 1 -2.624 -0.070 -1.685 0.00 0.00 +0.353 A ATOM 6 O LIG 1 -3.749 0.394 -1.887 0.00 0.00 -0.244 OA ATOM 7 N LIG 1 -1.460 0.704 -1.485 0.00 0.00 -0.181 N ATOM 8 N LIG 1 -0.199 0.155 -1.376 0.00 0.00 -0.152 NA ENDROOT BRANCH 1 12 ATOM 9 C LIG 1 4.101 -0.781 0.432 0.00 0.00 +0.115 C ATOM 10 C LIG 1 3.325 -2.064 0.119 0.00 0.00 +0.122 C ATOM 11 N LIG 1 1.901 -1.759 -0.006 0.00 0.00 -0.295 N ATOM 12 C LIG 1 1.351 -1.659 -1.284 0.00 0.00 +0.272 C ATOM 13 O LIG 1 1.934 -1.934 -2.326 0.00 0.00 -0.268 OA ATOM 14 C LIG 1 1.296 -1.187 1.194 0.00 0.00 +0.108 C ATOM 15 C LIG 1 2.003 0.120 1.551 0.00 0.00 +0.020 C ATOM 16 C LIG 1 3.518 -0.084 1.672 0.00 0.00 +0.018 C BRANCH 9 17 ATOM 17 C LIG 1 5.561 -1.103 0.651 0.00 0.00 +0.312 C ATOM 18 O LIG 1 5.998 -2.200 0.967 0.00 0.00 -0.250 OA BRANCH 17 19 ATOM 19 O LIG 1 6.316 0.017 0.468 0.00 0.00 -0.465 OA BRANCH 19 21 ATOM 20 C LIG 1 8.425 1.136 0.402 0.00 0.00 +0.048 C ATOM 21 C LIG 1 7.722 -0.182 0.659 0.00 0.00 +0.229 C ENDBRANCH 19 21 ENDBRANCH 17 19 ENDBRANCH 9 17 ENDBRANCH 1 12 BRANCH 7 22 ATOM 22 C LIG 1 -1.449 2.147 -1.391 0.00 0.00 +0.071 A ATOM 23 C LIG 1 -2.613 2.921 -1.268 0.00 0.00 +0.031 A ATOM 24 C LIG 1 -2.576 4.330 -1.170 0.00 0.00 -0.046 A ATOM 25 C LIG 1 -3.871 5.088 -1.037 0.00 0.00 +0.044 C ATOM 26 C LIG 1 -1.339 4.995 -1.179 0.00 0.00 -0.047 A ATOM 27 C LIG 1 -1.246 6.492 -1.076 0.00 0.00 +0.044 C ATOM 28 C LIG 1 -0.171 4.238 -1.295 0.00 0.00 +0.006 A ATOM 29 C LIG 1 -0.227 2.844 -1.396 0.00 0.00 +0.028 A ENDBRANCH 7 22 BRANCH 4 30 ATOM 30 C LIG 1 -3.617 -2.311 -1.751 0.00 0.00 +0.165 C BRANCH 30 31 ATOM 31 C LIG 1 -4.187 -2.628 -0.384 0.00 0.00 -0.027 A ATOM 32 C LIG 1 -3.752 -3.758 0.327 0.00 0.00 +0.008 A ATOM 33 C LIG 1 -4.258 -4.048 1.601 0.00 0.00 -0.050 A ATOM 34 C LIG 1 -3.759 -5.242 2.360 0.00 0.00 +0.044 C ATOM 35 C LIG 1 -5.190 -3.179 2.178 0.00 0.00 +0.003 A ATOM 36 C LIG 1 -5.627 -2.051 1.483 0.00 0.00 +0.001 A ATOM 37 C LIG 1 -5.130 -1.777 0.209 0.00 0.00 +0.005 A ENDBRANCH 30 31 ENDBRANCH 4 30 TORSDOF 7