REMARK Name = LIG000430 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.714 0.575 -0.230 0.00 0.00 +0.032 A ATOM 2 C LIG 1 1.548 -0.210 -0.179 0.00 0.00 +0.051 A ATOM 3 C LIG 1 0.295 0.283 0.184 0.00 0.00 +0.078 A ATOM 4 C LIG 1 0.176 1.630 0.523 0.00 0.00 +0.040 A ATOM 5 C LIG 1 -1.114 2.055 0.887 0.00 0.00 +0.130 A ATOM 6 N LIG 1 -2.167 1.222 0.867 0.00 0.00 -0.216 NA ATOM 7 C LIG 1 -1.954 -0.058 0.518 0.00 0.00 +0.142 A ATOM 8 C LIG 1 1.323 2.451 0.471 0.00 0.00 +0.015 A ATOM 9 N LIG 1 -0.746 -0.554 0.192 0.00 0.00 -0.231 NA ATOM 10 C LIG 1 2.563 1.925 0.102 0.00 0.00 +0.024 A ENDROOT BRANCH 1 16 ATOM 11 C LIG 1 8.009 -2.170 -2.963 0.00 0.00 +0.109 C ATOM 12 C LIG 1 7.844 -1.461 -1.643 0.00 0.00 +0.213 C ATOM 13 N LIG 1 6.561 -1.080 -1.291 0.00 0.00 -0.299 N ATOM 14 C LIG 1 5.363 -1.358 -2.089 0.00 0.00 +0.126 C ATOM 15 C LIG 1 4.052 -1.249 -1.287 0.00 0.00 +0.124 C ATOM 16 N LIG 1 3.943 0.052 -0.606 0.00 0.00 -0.327 N ATOM 17 C LIG 1 5.199 0.678 -0.146 0.00 0.00 +0.124 C ATOM 18 C LIG 1 6.351 -0.338 -0.047 0.00 0.00 +0.126 C ATOM 19 O LIG 1 8.820 -1.248 -0.924 0.00 0.00 -0.276 OA ENDBRANCH 1 16 BRANCH 7 20 ATOM 20 C LIG 1 -3.155 -1.034 0.497 0.00 0.00 +0.055 C ATOM 21 C LIG 1 -4.507 -0.326 0.858 0.00 0.00 +0.019 C ATOM 22 C LIG 1 -4.753 -0.242 2.363 0.00 0.00 +0.001 C ATOM 23 C LIG 1 -4.874 -1.631 2.988 0.00 0.00 +0.000 C ATOM 24 C LIG 1 -4.068 -2.698 2.246 0.00 0.00 +0.001 C ATOM 25 C LIG 1 -2.822 -2.100 1.595 0.00 0.00 +0.019 C BRANCH 20 26 ATOM 26 C LIG 1 -3.341 -1.602 -0.938 0.00 0.00 -0.034 A ATOM 27 C LIG 1 -3.424 -2.977 -1.218 0.00 0.00 +0.006 A ATOM 28 C LIG 1 -3.605 -3.438 -2.527 0.00 0.00 +0.020 A ATOM 29 C LIG 1 -3.711 -2.532 -3.577 0.00 0.00 +0.041 A ATOM 30 CL LIG 1 -3.932 -3.104 -5.184 0.00 0.00 -0.084 Cl ATOM 31 C LIG 1 -3.640 -1.166 -3.331 0.00 0.00 +0.020 A ATOM 32 C LIG 1 -3.461 -0.707 -2.024 0.00 0.00 +0.006 A ENDBRANCH 20 26 ENDBRANCH 7 20 BRANCH 5 33 ATOM 33 N LIG 1 -1.321 3.405 1.256 0.00 0.00 -0.327 N ATOM 34 H LIG 1 -0.674 3.623 2.013 0.00 0.00 +0.148 HD BRANCH 33 35 ATOM 35 C LIG 1 -2.684 3.710 1.709 0.00 0.00 +0.118 C BRANCH 35 36 ATOM 36 C LIG 1 -2.811 5.216 2.012 0.00 0.00 +0.096 C BRANCH 36 37 ATOM 37 N LIG 1 -1.703 5.733 2.831 0.00 0.00 -0.329 NA ATOM 38 H LIG 1 -1.888 6.713 3.044 0.00 0.00 +0.118 HD ATOM 39 H LIG 1 -0.867 5.740 2.244 0.00 0.00 +0.118 HD ENDBRANCH 36 37 ENDBRANCH 35 36 ENDBRANCH 33 35 ENDBRANCH 5 33 TORSDOF 7