REMARK Name = LIG001914 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.345 -0.490 -0.109 0.00 0.00 +0.265 C ATOM 2 N LIG 1 1.153 0.571 0.282 0.00 0.00 -0.203 N ATOM 3 H LIG 1 0.720 1.460 0.512 0.00 0.00 +0.178 HD ATOM 4 O LIG 1 0.706 -1.585 -0.521 0.00 0.00 -0.268 OA ENDROOT BRANCH 1 7 ATOM 5 C LIG 1 -1.477 -2.315 1.360 0.00 0.00 +0.066 C ATOM 6 C LIG 1 -1.959 -1.063 0.688 0.00 0.00 +0.051 A ATOM 7 C LIG 1 -1.103 -0.210 -0.001 0.00 0.00 +0.060 A ATOM 8 C LIG 1 -1.640 0.925 -0.613 0.00 0.00 +0.025 A ATOM 9 C LIG 1 -3.010 1.192 -0.509 0.00 0.00 +0.001 A ATOM 10 C LIG 1 -3.817 0.291 0.220 0.00 0.00 +0.074 A ATOM 11 C LIG 1 -5.187 0.565 0.324 0.00 0.00 -0.025 A ATOM 12 C LIG 1 -5.741 1.705 -0.285 0.00 0.00 +0.005 A ATOM 13 C LIG 1 -4.936 2.582 -1.003 0.00 0.00 +0.001 A ATOM 14 C LIG 1 -6.081 -0.372 1.091 0.00 0.00 +0.046 C ATOM 15 C LIG 1 -3.573 2.327 -1.116 0.00 0.00 +0.010 A ATOM 16 N LIG 1 -3.291 -0.807 0.801 0.00 0.00 -0.251 NA ENDBRANCH 1 7 BRANCH 2 17 ATOM 17 N LIG 1 2.514 0.655 0.160 0.00 0.00 -0.187 NA ATOM 18 C LIG 1 3.217 -0.432 0.144 0.00 0.00 +0.138 C BRANCH 18 19 ATOM 19 C LIG 1 4.684 -0.396 -0.036 0.00 0.00 -0.004 A ATOM 20 C LIG 1 5.360 0.818 -0.190 0.00 0.00 +0.029 A ATOM 21 C LIG 1 6.743 0.812 -0.357 0.00 0.00 +0.042 A ATOM 22 CL LIG 1 7.587 2.300 -0.545 0.00 0.00 -0.084 Cl ATOM 23 C LIG 1 7.452 -0.390 -0.373 0.00 0.00 +0.020 A ATOM 24 C LIG 1 6.774 -1.600 -0.221 0.00 0.00 +0.002 A ATOM 25 C LIG 1 5.388 -1.606 -0.052 0.00 0.00 +0.009 A ENDBRANCH 18 19 ENDBRANCH 2 17 TORSDOF 3