REMARK Name = LIG000457 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.451 -0.401 -0.532 0.00 0.00 +0.219 A ATOM 2 N LIG 1 -4.128 0.756 -0.601 0.00 0.00 -0.195 NA ATOM 3 C LIG 1 -3.320 1.817 -0.721 0.00 0.00 +0.167 A ATOM 4 C LIG 1 -1.939 1.812 -0.773 0.00 0.00 +0.148 A ATOM 5 N LIG 1 -1.444 3.096 -0.879 0.00 0.00 -0.231 NA ATOM 6 C LIG 1 -2.513 3.864 -0.910 0.00 0.00 +0.201 A ATOM 7 C LIG 1 -1.311 0.559 -0.693 0.00 0.00 +0.152 A ATOM 8 N LIG 1 -3.672 3.137 -0.818 0.00 0.00 -0.312 N ATOM 9 N LIG 1 -2.108 -0.536 -0.561 0.00 0.00 -0.197 NA ENDROOT BRANCH 8 10 ATOM 10 C LIG 1 -5.030 3.660 -0.820 0.00 0.00 +0.084 C ATOM 11 C LIG 1 -5.356 4.376 -2.131 0.00 0.00 +0.030 C ATOM 12 C LIG 1 -5.285 4.565 0.386 0.00 0.00 +0.030 C ENDBRANCH 8 10 BRANCH 1 13 ATOM 13 N LIG 1 -4.249 -1.532 -0.407 0.00 0.00 -0.308 N ATOM 14 H LIG 1 -5.141 -1.197 -0.050 0.00 0.00 +0.149 HD BRANCH 13 15 ATOM 15 CA LIG 1 -3.689 -2.644 0.366 0.00 0.00 +0.098 C BRANCH 15 17 ATOM 16 C LIG 1 -4.010 -5.170 0.667 0.00 0.00 +0.006 C ATOM 17 C LIG 1 -4.504 -3.900 -0.009 0.00 0.00 +0.021 C ENDBRANCH 15 17 BRANCH 15 18 ATOM 18 C LIG 1 -3.742 -2.316 1.877 0.00 0.00 +0.178 C BRANCH 18 19 ATOM 19 O LIG 1 -5.080 -2.085 2.324 0.00 0.00 -0.393 OA ATOM 20 H LIG 1 -5.541 -2.942 2.329 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 0.080 0.433 -0.747 0.00 0.00 -0.323 N ATOM 22 H LIG 1 0.522 1.333 -0.573 0.00 0.00 +0.148 HD BRANCH 21 23 ATOM 23 C LIG 1 0.620 -0.677 0.011 0.00 0.00 +0.138 C BRANCH 23 24 ATOM 24 C LIG 1 2.128 -0.597 0.005 0.00 0.00 -0.030 A ATOM 25 C LIG 1 2.850 -0.896 -1.153 0.00 0.00 +0.007 A ATOM 26 C LIG 1 4.249 -0.815 -1.164 0.00 0.00 +0.023 A ATOM 27 C LIG 1 4.983 -0.428 -0.032 0.00 0.00 +0.030 A ATOM 28 C LIG 1 4.236 -0.127 1.118 0.00 0.00 +0.023 A ATOM 29 C LIG 1 2.836 -0.204 1.142 0.00 0.00 +0.007 A BRANCH 27 30 ATOM 30 N LIG 1 6.364 -0.352 -0.044 0.00 0.00 -0.326 N ATOM 31 C LIG 1 7.106 0.476 0.921 0.00 0.00 +0.133 C ATOM 32 C LIG 1 8.417 0.978 0.292 0.00 0.00 +0.178 C ATOM 33 O LIG 1 9.294 -0.068 -0.149 0.00 0.00 -0.377 OA ATOM 34 C LIG 1 8.598 -1.252 -0.562 0.00 0.00 +0.178 C ATOM 35 C LIG 1 7.176 -0.997 -1.088 0.00 0.00 +0.133 C ENDBRANCH 27 30 ENDBRANCH 23 24 ENDBRANCH 21 23 ENDBRANCH 7 21 TORSDOF 10