REMARK Name = LIG000441 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -2.382 0.025 -0.319 0.00 0.00 -0.181 N ATOM 2 C LIG 1 -2.990 0.892 0.618 0.00 0.00 +0.353 A ATOM 3 O LIG 1 -4.207 1.029 0.763 0.00 0.00 -0.244 OA ATOM 4 N LIG 1 -2.117 1.613 1.431 0.00 0.00 -0.253 N ATOM 5 C LIG 1 -0.752 1.444 1.410 0.00 0.00 +0.288 A ATOM 6 O LIG 1 0.041 1.856 2.248 0.00 0.00 -0.265 OA ATOM 7 C LIG 1 -0.230 0.630 0.278 0.00 0.00 +0.210 A ATOM 8 N LIG 1 -1.016 -0.040 -0.506 0.00 0.00 -0.152 NA ENDROOT BRANCH 1 14 ATOM 9 C LIG 1 -5.223 -3.494 -3.964 0.00 0.00 +0.044 C ATOM 10 C LIG 1 -4.469 -2.590 -3.031 0.00 0.00 -0.047 A ATOM 11 C LIG 1 -3.078 -2.430 -3.119 0.00 0.00 -0.046 A ATOM 12 C LIG 1 -2.269 -3.137 -4.173 0.00 0.00 +0.044 C ATOM 13 C LIG 1 -2.426 -1.561 -2.221 0.00 0.00 +0.031 A ATOM 14 C LIG 1 -3.112 -0.846 -1.216 0.00 0.00 +0.071 A ATOM 15 C LIG 1 -4.494 -1.047 -1.140 0.00 0.00 +0.028 A ATOM 16 C LIG 1 -5.161 -1.901 -2.030 0.00 0.00 +0.006 A ENDBRANCH 1 14 BRANCH 7 17 ATOM 17 C LIG 1 1.251 0.547 0.002 0.00 0.00 +0.272 C ATOM 18 N LIG 1 1.914 -0.604 0.421 0.00 0.00 -0.295 N ATOM 19 C LIG 1 3.328 -0.770 0.103 0.00 0.00 +0.121 C ATOM 20 C LIG 1 4.145 -1.155 1.344 0.00 0.00 +0.092 C ATOM 21 C LIG 1 3.375 -2.128 2.269 0.00 0.00 +0.016 C ATOM 22 C LIG 1 2.203 -2.798 1.557 0.00 0.00 +0.020 C ATOM 23 C LIG 1 1.231 -1.748 1.022 0.00 0.00 +0.108 C ATOM 24 O LIG 1 1.772 1.494 -0.575 0.00 0.00 -0.268 OA BRANCH 20 25 ATOM 25 C LIG 1 5.465 -1.756 0.860 0.00 0.00 +0.220 C ATOM 26 N LIG 1 6.457 -0.888 0.404 0.00 0.00 -0.307 N ATOM 27 C LIG 1 7.724 -1.477 -0.005 0.00 0.00 +0.131 C ATOM 28 C LIG 1 6.501 0.535 0.712 0.00 0.00 +0.131 C ATOM 29 O LIG 1 5.610 -2.981 0.818 0.00 0.00 -0.275 OA ENDBRANCH 20 25 ENDBRANCH 7 17 BRANCH 4 30 ATOM 30 C LIG 1 -2.671 2.518 2.427 0.00 0.00 +0.165 C BRANCH 30 31 ATOM 31 C LIG 1 -2.758 3.933 1.900 0.00 0.00 -0.028 A ATOM 32 C LIG 1 -3.896 4.364 1.203 0.00 0.00 +0.005 A ATOM 33 C LIG 1 -3.966 5.662 0.694 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -2.898 6.539 0.871 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -1.758 6.120 1.554 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -1.686 4.823 2.064 0.00 0.00 +0.005 A ENDBRANCH 30 31 ENDBRANCH 4 30 TORSDOF 5