REMARK Name = LIG000139 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.560 -0.757 0.681 0.00 0.00 +0.219 A ATOM 2 N LIG 1 -3.309 0.318 0.390 0.00 0.00 -0.195 NA ATOM 3 C LIG 1 -2.568 1.400 0.117 0.00 0.00 +0.167 A ATOM 4 C LIG 1 -1.188 1.483 0.101 0.00 0.00 +0.148 A ATOM 5 N LIG 1 -0.775 2.753 -0.245 0.00 0.00 -0.231 NA ATOM 6 C LIG 1 -1.890 3.433 -0.413 0.00 0.00 +0.201 A ATOM 7 C LIG 1 -0.484 0.307 0.409 0.00 0.00 +0.152 A ATOM 8 N LIG 1 -3.002 2.658 -0.203 0.00 0.00 -0.312 N ATOM 9 N LIG 1 -1.213 -0.808 0.685 0.00 0.00 -0.197 NA ENDROOT BRANCH 8 10 ATOM 10 C LIG 1 -4.390 3.085 -0.297 0.00 0.00 +0.084 C ATOM 11 C LIG 1 -4.716 4.171 0.728 0.00 0.00 +0.030 C ATOM 12 C LIG 1 -4.746 3.532 -1.715 0.00 0.00 +0.030 C ENDBRANCH 8 10 BRANCH 1 13 ATOM 13 N LIG 1 -3.171 -1.969 1.001 0.00 0.00 -0.308 N ATOM 14 H LIG 1 -2.412 -2.639 0.890 0.00 0.00 +0.149 HD BRANCH 13 15 ATOM 15 CA LIG 1 -4.394 -2.275 0.241 0.00 0.00 +0.098 C BRANCH 15 17 ATOM 16 C LIG 1 -6.935 -1.962 0.292 0.00 0.00 +0.006 C ATOM 17 C LIG 1 -5.619 -1.770 1.032 0.00 0.00 +0.021 C ENDBRANCH 15 17 BRANCH 15 18 ATOM 18 C LIG 1 -4.436 -3.807 0.025 0.00 0.00 +0.178 C BRANCH 18 19 ATOM 19 O LIG 1 -4.459 -4.509 1.267 0.00 0.00 -0.393 OA ATOM 20 H LIG 1 -3.969 -3.957 1.907 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 0.912 0.280 0.438 0.00 0.00 -0.323 N ATOM 22 H LIG 1 1.293 1.094 -0.040 0.00 0.00 +0.148 HD BRANCH 21 23 ATOM 23 C LIG 1 1.510 -0.987 0.070 0.00 0.00 +0.138 C BRANCH 23 24 ATOM 24 C LIG 1 3.011 -0.823 -0.009 0.00 0.00 -0.030 A ATOM 25 C LIG 1 3.666 -0.785 -1.245 0.00 0.00 +0.006 A ATOM 26 C LIG 1 5.054 -0.623 -1.308 0.00 0.00 +0.009 A ATOM 27 C LIG 1 5.824 -0.489 -0.141 0.00 0.00 -0.018 A ATOM 28 C LIG 1 5.156 -0.520 1.094 0.00 0.00 +0.009 A ATOM 29 C LIG 1 3.769 -0.681 1.160 0.00 0.00 +0.006 A BRANCH 27 30 ATOM 30 C LIG 1 7.284 -0.319 -0.210 0.00 0.00 -0.018 A ATOM 31 C LIG 1 8.147 -1.171 0.501 0.00 0.00 +0.008 A ATOM 32 C LIG 1 9.534 -1.010 0.435 0.00 0.00 +0.001 A ATOM 33 C LIG 1 10.082 0.006 -0.343 0.00 0.00 +0.000 A ATOM 34 C LIG 1 9.245 0.862 -1.054 0.00 0.00 +0.001 A ATOM 35 C LIG 1 7.859 0.700 -0.988 0.00 0.00 +0.008 A ENDBRANCH 27 30 ENDBRANCH 23 24 ENDBRANCH 21 23 ENDBRANCH 7 21 TORSDOF 10