REMARK Name = LIG001902 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.378 0.089 0.143 0.00 0.00 -0.222 N ATOM 2 C LIG 1 -0.084 0.462 0.389 0.00 0.00 +0.256 C ATOM 3 O LIG 1 0.328 1.332 1.135 0.00 0.00 -0.269 OA ATOM 4 C LIG 1 0.770 -0.368 -0.461 0.00 0.00 +0.070 A ATOM 5 C LIG 1 -0.065 -1.218 -1.169 0.00 0.00 +0.051 A ATOM 6 C LIG 1 0.419 -2.137 -2.076 0.00 0.00 +0.014 A ATOM 7 C LIG 1 1.802 -2.178 -2.256 0.00 0.00 +0.003 A ATOM 8 C LIG 1 2.653 -1.312 -1.532 0.00 0.00 +0.024 A ATOM 9 C LIG 1 2.149 -0.371 -0.619 0.00 0.00 +0.040 A ATOM 10 C LIG 1 -1.438 -0.941 -0.754 0.00 0.00 +0.255 C ATOM 11 O LIG 1 -2.409 -1.553 -1.155 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 18 ATOM 12 O LIG 1 -6.281 0.513 2.579 0.00 0.00 -0.275 OA ATOM 13 C LIG 1 -5.169 0.541 2.060 0.00 0.00 +0.219 C ATOM 14 N LIG 1 -4.161 -0.280 2.502 0.00 0.00 -0.255 N ATOM 15 H LIG 1 -4.413 -0.938 3.227 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 -2.890 -0.410 1.988 0.00 0.00 +0.240 C ATOM 17 O LIG 1 -2.120 -1.256 2.438 0.00 0.00 -0.273 OA ATOM 18 C LIG 1 -2.506 0.603 0.904 0.00 0.00 +0.171 C ATOM 19 C LIG 1 -3.725 0.956 0.057 0.00 0.00 +0.041 C ATOM 20 C LIG 1 -4.817 1.514 0.959 0.00 0.00 +0.098 C ENDBRANCH 1 18 BRANCH 9 21 ATOM 21 N LIG 1 2.974 0.454 0.166 0.00 0.00 -0.340 N ATOM 22 H LIG 1 2.450 1.192 0.648 0.00 0.00 +0.146 HD BRANCH 21 23 ATOM 23 C LIG 1 4.356 0.743 -0.201 0.00 0.00 +0.071 C ATOM 24 C LIG 1 5.322 1.212 0.851 0.00 0.00 +0.024 C ATOM 25 C LIG 1 5.482 -0.148 0.240 0.00 0.00 +0.024 C ENDBRANCH 21 23 ENDBRANCH 9 21 TORSDOF 3