REMARK Name = LIG000621 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.127 0.343 -0.059 0.00 0.00 +0.025 A ATOM 2 C LIG 1 -2.905 0.995 -0.262 0.00 0.00 +0.036 A ATOM 3 C LIG 1 -1.748 0.268 -0.059 0.00 0.00 +0.051 A ATOM 4 C LIG 1 -0.348 0.661 -0.201 0.00 0.00 +0.255 C ATOM 5 N LIG 1 0.403 -0.442 0.104 0.00 0.00 -0.222 N ATOM 6 C LIG 1 -0.385 -1.489 0.500 0.00 0.00 +0.254 C ATOM 7 O LIG 1 -0.051 -2.595 0.881 0.00 0.00 -0.270 OA ATOM 8 O LIG 1 0.020 1.776 -0.518 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 -1.770 -1.043 0.373 0.00 0.00 +0.050 A ATOM 10 C LIG 1 -2.953 -1.700 0.637 0.00 0.00 +0.015 A ATOM 11 C LIG 1 -4.138 -0.983 0.432 0.00 0.00 +0.023 A ENDROOT BRANCH 5 12 ATOM 12 C LIG 1 1.853 -0.458 0.227 0.00 0.00 +0.171 C ATOM 13 C LIG 1 2.261 0.267 1.514 0.00 0.00 +0.240 C ATOM 14 O LIG 1 1.517 0.417 2.482 0.00 0.00 -0.273 OA ATOM 15 N LIG 1 3.568 0.698 1.567 0.00 0.00 -0.255 N ATOM 16 H LIG 1 3.844 1.164 2.420 0.00 0.00 +0.158 HD ATOM 17 C LIG 1 4.497 0.697 0.555 0.00 0.00 +0.219 C ATOM 18 O LIG 1 5.616 1.172 0.723 0.00 0.00 -0.275 OA ATOM 19 C LIG 1 4.090 0.027 -0.737 0.00 0.00 +0.098 C ATOM 20 C LIG 1 2.590 0.138 -0.969 0.00 0.00 +0.041 C ENDBRANCH 5 12 BRANCH 1 21 ATOM 21 N LIG 1 -5.323 1.066 -0.127 0.00 0.00 -0.358 N ATOM 22 H LIG 1 -5.296 1.874 -0.742 0.00 0.00 +0.142 HD ATOM 23 H LIG 1 -6.153 0.499 -0.270 0.00 0.00 +0.142 HD ENDBRANCH 1 21 TORSDOF 2