REMARK Name = LIG000189 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.852 1.471 -1.399 0.00 0.00 +0.004 A ATOM 2 C LIG 1 1.360 1.140 -0.135 0.00 0.00 +0.024 A ATOM 3 C LIG 1 2.458 0.301 -0.092 0.00 0.00 +0.050 A ATOM 4 C LIG 1 3.196 -0.224 1.053 0.00 0.00 +0.255 C ATOM 5 N LIG 1 4.185 -1.027 0.551 0.00 0.00 -0.222 N ATOM 6 C LIG 1 4.189 -1.018 -0.818 0.00 0.00 +0.254 C ATOM 7 O LIG 1 4.960 -1.560 -1.587 0.00 0.00 -0.270 OA ATOM 8 O LIG 1 2.926 0.022 2.213 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 3.061 -0.188 -1.235 0.00 0.00 +0.049 A ATOM 10 C LIG 1 2.603 0.137 -2.495 0.00 0.00 +0.014 A ATOM 11 C LIG 1 1.487 0.978 -2.568 0.00 0.00 +0.011 A ENDROOT BRANCH 1 20 ATOM 12 C LIG 1 -1.496 2.286 -0.839 0.00 0.00 +0.131 A ATOM 13 N LIG 1 -2.211 3.390 -1.289 0.00 0.00 -0.288 N ATOM 14 C LIG 1 -1.473 3.954 -2.327 0.00 0.00 +0.140 A ATOM 15 C LIG 1 -2.034 5.084 -2.989 0.00 0.00 +0.047 A ATOM 16 C LIG 1 -3.214 5.587 -2.576 0.00 0.00 +0.005 A ATOM 17 C LIG 1 -3.938 5.002 -1.459 0.00 0.00 +0.018 A ATOM 18 N LIG 1 -0.328 3.333 -2.504 0.00 0.00 -0.226 NA ATOM 19 C LIG 1 -3.425 3.923 -0.845 0.00 0.00 +0.094 A ATOM 20 C LIG 1 -0.299 2.345 -1.545 0.00 0.00 +0.112 A BRANCH 12 21 ATOM 21 N LIG 1 -1.976 1.469 0.158 0.00 0.00 -0.323 N ATOM 22 H LIG 1 -1.246 1.170 0.806 0.00 0.00 +0.148 HD BRANCH 21 23 ATOM 23 C LIG 1 -2.784 0.241 -0.172 0.00 0.00 +0.028 C ATOM 24 C LIG 1 -3.856 0.547 -1.234 0.00 0.00 +0.031 C ATOM 25 C LIG 1 -1.835 -0.838 -0.710 0.00 0.00 +0.031 C BRANCH 23 26 ATOM 26 C LIG 1 -3.452 -0.151 1.193 0.00 0.00 +0.031 C BRANCH 26 28 ATOM 27 C LIG 1 -5.080 -2.008 0.399 0.00 0.00 +0.010 C ATOM 28 C LIG 1 -4.102 -1.541 1.482 0.00 0.00 -0.036 C ATOM 29 C LIG 1 -4.904 -1.397 2.800 0.00 0.00 +0.010 C ATOM 30 C LIG 1 -3.044 -2.634 1.723 0.00 0.00 +0.010 C ENDBRANCH 26 28 ENDBRANCH 23 26 ENDBRANCH 21 23 ENDBRANCH 12 21 ENDBRANCH 1 20 BRANCH 5 31 ATOM 31 C LIG 1 5.219 -1.618 1.386 0.00 0.00 +0.171 C ATOM 32 C LIG 1 6.476 -0.743 1.331 0.00 0.00 +0.240 C ATOM 33 O LIG 1 6.467 0.449 1.032 0.00 0.00 -0.273 OA ATOM 34 N LIG 1 7.647 -1.359 1.712 0.00 0.00 -0.255 N ATOM 35 H LIG 1 8.476 -0.780 1.691 0.00 0.00 +0.158 HD ATOM 36 C LIG 1 7.850 -2.688 1.988 0.00 0.00 +0.219 C ATOM 37 O LIG 1 8.967 -3.114 2.266 0.00 0.00 -0.275 OA ATOM 38 C LIG 1 6.625 -3.573 1.996 0.00 0.00 +0.098 C ATOM 39 C LIG 1 5.566 -3.061 1.030 0.00 0.00 +0.041 C ENDBRANCH 5 31 TORSDOF 6