REMARK Name = LIG000391 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.585 1.266 -1.055 0.00 0.00 +0.127 A ATOM 2 N LIG 1 3.281 1.195 -1.169 0.00 0.00 -0.212 NA ATOM 3 C LIG 1 2.631 2.080 -1.986 0.00 0.00 +0.165 A ATOM 4 N LIG 1 3.325 3.055 -2.702 0.00 0.00 -0.221 N ATOM 5 N LIG 1 2.497 3.835 -3.439 0.00 0.00 -0.173 NA ATOM 6 C LIG 1 1.282 3.349 -3.184 0.00 0.00 +0.145 A ATOM 7 C LIG 1 4.704 3.146 -2.605 0.00 0.00 +0.118 A ATOM 8 C LIG 1 1.293 2.256 -2.292 0.00 0.00 +0.046 A ATOM 9 C LIG 1 5.383 2.301 -1.819 0.00 0.00 +0.063 A ENDROOT BRANCH 8 10 ATOM 10 C LIG 1 0.189 1.473 -1.755 0.00 0.00 -0.012 A ATOM 11 C LIG 1 -1.036 2.105 -1.470 0.00 0.00 +0.014 A ATOM 12 C LIG 1 -2.075 1.342 -0.960 0.00 0.00 -0.017 A ATOM 13 C LIG 1 -3.447 1.755 -0.547 0.00 0.00 +0.144 C ATOM 14 N LIG 1 -4.065 0.489 -0.175 0.00 0.00 -0.282 N ATOM 15 C LIG 1 -3.157 -0.555 -0.190 0.00 0.00 +0.248 C ATOM 16 O LIG 1 -3.311 -1.694 0.199 0.00 0.00 -0.270 OA ATOM 17 C LIG 1 -1.905 -0.022 -0.739 0.00 0.00 +0.042 A ATOM 18 C LIG 1 -0.722 -0.678 -1.006 0.00 0.00 +0.014 A ATOM 19 C LIG 1 0.330 0.084 -1.524 0.00 0.00 +0.009 A BRANCH 14 20 ATOM 20 C LIG 1 -5.391 0.450 0.432 0.00 0.00 +0.163 C ATOM 21 C LIG 1 -5.275 0.302 1.949 0.00 0.00 +0.240 C ATOM 22 O LIG 1 -4.716 1.148 2.649 0.00 0.00 -0.273 OA ATOM 23 N LIG 1 -5.778 -0.844 2.508 0.00 0.00 -0.255 N ATOM 24 H LIG 1 -5.678 -0.927 3.509 0.00 0.00 +0.158 HD ATOM 25 C LIG 1 -6.283 -1.951 1.877 0.00 0.00 +0.219 C ATOM 26 O LIG 1 -6.656 -2.923 2.529 0.00 0.00 -0.275 OA ATOM 27 C LIG 1 -6.334 -1.931 0.370 0.00 0.00 +0.098 C ATOM 28 C LIG 1 -6.380 -0.526 -0.201 0.00 0.00 +0.041 C ENDBRANCH 14 20 ENDBRANCH 8 10 BRANCH 1 29 ATOM 29 N LIG 1 5.309 0.399 -0.257 0.00 0.00 -0.299 N ATOM 30 H LIG 1 6.317 0.465 -0.307 0.00 0.00 +0.154 HD BRANCH 29 36 ATOM 31 C LIG 1 3.615 -3.685 3.433 0.00 0.00 +0.045 C ATOM 32 C LIG 1 4.066 -2.618 2.478 0.00 0.00 -0.032 A ATOM 33 C LIG 1 5.385 -2.536 2.018 0.00 0.00 +0.046 A ATOM 34 CL LIG 1 6.590 -3.669 2.522 0.00 0.00 -0.083 Cl ATOM 35 C LIG 1 5.772 -1.527 1.125 0.00 0.00 +0.043 A ATOM 36 C LIG 1 4.858 -0.565 0.668 0.00 0.00 +0.034 A ATOM 37 C LIG 1 3.542 -0.659 1.127 0.00 0.00 +0.023 A ATOM 38 C LIG 1 3.150 -1.665 2.020 0.00 0.00 +0.006 A ENDBRANCH 29 36 ENDBRANCH 1 29 TORSDOF 4