REMARK Name = LIG000545 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.540 0.192 0.568 0.00 0.00 +0.219 A ATOM 2 N LIG 1 -3.069 1.203 -0.140 0.00 0.00 -0.195 NA ATOM 3 C LIG 1 -2.158 1.824 -0.902 0.00 0.00 +0.167 A ATOM 4 C LIG 1 -0.814 1.519 -1.011 0.00 0.00 +0.148 A ATOM 5 N LIG 1 -0.181 2.382 -1.881 0.00 0.00 -0.231 NA ATOM 6 C LIG 1 -1.131 3.190 -2.302 0.00 0.00 +0.201 A ATOM 7 C LIG 1 -0.350 0.442 -0.239 0.00 0.00 +0.152 A ATOM 8 N LIG 1 -2.346 2.893 -1.738 0.00 0.00 -0.312 N ATOM 9 N LIG 1 -1.250 -0.199 0.551 0.00 0.00 -0.197 NA ENDROOT BRANCH 8 10 ATOM 10 C LIG 1 -3.605 3.583 -1.974 0.00 0.00 +0.084 C ATOM 11 C LIG 1 -3.540 5.043 -1.527 0.00 0.00 +0.030 C ATOM 12 C LIG 1 -4.044 3.467 -3.434 0.00 0.00 +0.030 C ENDBRANCH 8 10 BRANCH 1 13 ATOM 13 N LIG 1 -3.445 -0.476 1.381 0.00 0.00 -0.308 N ATOM 14 H LIG 1 -4.370 -0.215 1.054 0.00 0.00 +0.149 HD BRANCH 13 15 ATOM 15 CA LIG 1 -3.220 -1.914 1.582 0.00 0.00 +0.098 C BRANCH 15 17 ATOM 16 C LIG 1 -4.926 -2.671 -0.212 0.00 0.00 +0.006 C ATOM 17 C LIG 1 -3.497 -2.739 0.314 0.00 0.00 +0.021 C ENDBRANCH 15 17 BRANCH 15 18 ATOM 18 C LIG 1 -4.090 -2.359 2.776 0.00 0.00 +0.178 C BRANCH 18 19 ATOM 19 O LIG 1 -3.737 -1.607 3.940 0.00 0.00 -0.393 OA ATOM 20 H LIG 1 -3.527 -0.710 3.609 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 0.987 0.030 -0.284 0.00 0.00 -0.323 N ATOM 22 H LIG 1 1.562 0.764 -0.693 0.00 0.00 +0.148 HD BRANCH 21 23 ATOM 23 C LIG 1 1.488 -0.516 0.962 0.00 0.00 +0.138 C BRANCH 23 24 ATOM 24 C LIG 1 2.972 -0.773 0.827 0.00 0.00 -0.030 A ATOM 25 C LIG 1 3.439 -1.809 0.007 0.00 0.00 +0.006 A ATOM 26 C LIG 1 4.810 -2.048 -0.130 0.00 0.00 +0.009 A ATOM 27 C LIG 1 5.745 -1.256 0.549 0.00 0.00 -0.015 A ATOM 28 C LIG 1 5.277 -0.215 1.363 0.00 0.00 +0.009 A ATOM 29 C LIG 1 3.905 0.026 1.499 0.00 0.00 +0.006 A BRANCH 27 30 ATOM 30 C LIG 1 7.167 -1.512 0.395 0.00 0.00 +0.019 A ATOM 31 C LIG 1 8.136 -1.242 1.340 0.00 0.00 +0.113 A ATOM 32 N LIG 1 9.323 -1.647 0.803 0.00 0.00 -0.284 N ATOM 33 H LIG 1 10.247 -1.604 1.219 0.00 0.00 +0.188 HD ATOM 34 N LIG 1 9.204 -2.167 -0.429 0.00 0.00 -0.182 NA ATOM 35 C LIG 1 7.894 -2.086 -0.675 0.00 0.00 +0.142 A ENDBRANCH 27 30 ENDBRANCH 23 24 ENDBRANCH 21 23 ENDBRANCH 7 21 TORSDOF 10