REMARK Name = LIG001497 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.336 1.524 -0.062 0.00 0.00 +0.164 C ATOM 2 N LIG 1 1.747 1.947 0.036 0.00 0.00 -0.286 N ATOM 3 C LIG 1 2.715 1.036 -0.400 0.00 0.00 +0.237 C ATOM 4 O LIG 1 3.241 1.096 -1.518 0.00 0.00 -0.274 OA ATOM 5 C LIG 1 1.845 3.301 -0.525 0.00 0.00 +0.140 C ATOM 6 C LIG 1 0.448 3.669 -1.055 0.00 0.00 +0.134 C ATOM 7 C LIG 1 -0.219 2.322 -1.249 0.00 0.00 +0.065 C ENDROOT BRANCH 1 10 ATOM 8 N LIG 1 -1.380 -0.201 0.197 0.00 0.00 -0.306 N ATOM 9 H LIG 1 -1.993 0.587 0.410 0.00 0.00 +0.149 HD ATOM 10 C LIG 1 -0.082 0.043 -0.207 0.00 0.00 +0.234 C ATOM 11 O LIG 1 0.646 -0.829 -0.683 0.00 0.00 -0.274 OA BRANCH 8 12 ATOM 12 C LIG 1 -2.047 -1.469 -0.048 0.00 0.00 +0.112 C BRANCH 12 13 ATOM 13 C LIG 1 -2.624 -1.547 -1.457 0.00 0.00 -0.027 A ATOM 14 C LIG 1 -2.426 -2.714 -2.219 0.00 0.00 +0.005 A ATOM 15 C LIG 1 -2.963 -2.826 -3.503 0.00 0.00 +0.000 A ATOM 16 C LIG 1 -3.706 -1.781 -4.045 0.00 0.00 +0.000 A ATOM 17 C LIG 1 -3.912 -0.619 -3.304 0.00 0.00 +0.000 A ATOM 18 C LIG 1 -3.377 -0.502 -2.019 0.00 0.00 +0.005 A ENDBRANCH 12 13 BRANCH 12 19 ATOM 19 C LIG 1 -3.099 -1.800 1.027 0.00 0.00 +0.122 C BRANCH 19 23 ATOM 20 C LIG 1 -6.321 -0.206 2.224 0.00 0.00 +0.128 C ATOM 21 N LIG 1 -5.294 -1.135 1.815 0.00 0.00 -0.318 N ATOM 22 H LIG 1 -5.360 -2.092 2.141 0.00 0.00 +0.148 HD ATOM 23 C LIG 1 -4.106 -0.691 1.276 0.00 0.00 +0.215 C ATOM 24 O LIG 1 -3.865 0.497 1.072 0.00 0.00 -0.276 OA ENDBRANCH 19 23 ENDBRANCH 12 19 ENDBRANCH 8 12 ENDBRANCH 1 10 BRANCH 6 25 ATOM 25 O LIG 1 -0.300 4.401 -0.075 0.00 0.00 -0.390 OA ATOM 26 H LIG 1 0.103 5.282 0.004 0.00 0.00 +0.210 HD ENDBRANCH 6 25 BRANCH 3 27 ATOM 27 C LIG 1 3.164 0.005 0.677 0.00 0.00 +0.162 C BRANCH 27 28 ATOM 28 N LIG 1 3.711 -1.148 -0.042 0.00 0.00 -0.304 N ATOM 29 H LIG 1 3.717 -1.061 -1.056 0.00 0.00 +0.149 HD ATOM 30 C LIG 1 3.720 -2.404 0.512 0.00 0.00 +0.211 C ATOM 31 O LIG 1 3.417 -2.642 1.681 0.00 0.00 -0.276 OA ATOM 32 C LIG 1 4.163 -3.490 -0.435 0.00 0.00 +0.109 C ENDBRANCH 27 28 BRANCH 27 33 ATOM 33 C LIG 1 4.197 0.579 1.679 0.00 0.00 +0.012 C ATOM 34 C LIG 1 3.561 1.557 2.675 0.00 0.00 +0.009 C ATOM 35 C LIG 1 5.401 1.236 0.988 0.00 0.00 +0.009 C ENDBRANCH 27 33 ENDBRANCH 3 27 TORSDOF 9