REMARK Name = LIG001832 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.543 -0.355 0.256 0.00 0.00 +0.219 A ATOM 2 N LIG 1 -2.951 0.924 0.265 0.00 0.00 -0.195 NA ATOM 3 C LIG 1 -1.929 1.789 0.317 0.00 0.00 +0.167 A ATOM 4 C LIG 1 -0.581 1.486 0.365 0.00 0.00 +0.148 A ATOM 5 N LIG 1 0.181 2.636 0.405 0.00 0.00 -0.231 NA ATOM 6 C LIG 1 -0.695 3.618 0.386 0.00 0.00 +0.201 A ATOM 7 C LIG 1 -0.244 0.123 0.354 0.00 0.00 +0.152 A ATOM 8 N LIG 1 -1.985 3.156 0.332 0.00 0.00 -0.312 N ATOM 9 N LIG 1 -1.261 -0.777 0.297 0.00 0.00 -0.197 NA ENDROOT BRANCH 8 10 ATOM 10 C LIG 1 -3.196 3.962 0.292 0.00 0.00 +0.084 C ATOM 11 C LIG 1 -3.353 4.803 1.559 0.00 0.00 +0.030 C ATOM 12 C LIG 1 -3.254 4.832 -0.963 0.00 0.00 +0.030 C ENDBRANCH 8 10 BRANCH 1 13 ATOM 13 N LIG 1 -3.568 -1.294 0.208 0.00 0.00 -0.308 N ATOM 14 H LIG 1 -4.395 -0.795 0.532 0.00 0.00 +0.149 HD BRANCH 13 15 ATOM 15 CA LIG 1 -3.338 -2.526 0.970 0.00 0.00 +0.098 C BRANCH 15 17 ATOM 16 C LIG 1 -5.818 -3.308 0.784 0.00 0.00 +0.006 C ATOM 17 C LIG 1 -4.349 -3.595 0.503 0.00 0.00 +0.021 C ENDBRANCH 15 17 BRANCH 15 18 ATOM 18 C LIG 1 -3.393 -2.253 2.490 0.00 0.00 +0.178 C BRANCH 18 19 ATOM 19 O LIG 1 -4.558 -1.506 2.845 0.00 0.00 -0.393 OA ATOM 20 H LIG 1 -4.463 -1.270 3.784 0.00 0.00 +0.209 HD ENDBRANCH 18 19 ENDBRANCH 15 18 ENDBRANCH 13 15 ENDBRANCH 1 13 BRANCH 7 21 ATOM 21 N LIG 1 1.086 -0.309 0.415 0.00 0.00 -0.322 N ATOM 22 H LIG 1 1.712 0.463 0.182 0.00 0.00 +0.148 HD BRANCH 21 23 ATOM 23 C LIG 1 1.356 -1.487 -0.403 0.00 0.00 +0.160 C BRANCH 23 24 ATOM 24 C LIG 1 2.820 -1.798 -0.579 0.00 0.00 +0.080 A ATOM 25 N LIG 1 3.651 -0.887 -1.107 0.00 0.00 -0.170 NA ATOM 26 N LIG 1 4.875 -1.474 -1.102 0.00 0.00 -0.240 N ATOM 27 C LIG 1 4.810 -2.751 -0.586 0.00 0.00 +0.115 A ATOM 28 C LIG 1 3.502 -2.984 -0.238 0.00 0.00 +0.046 A BRANCH 26 29 ATOM 29 C LIG 1 6.017 -0.779 -1.591 0.00 0.00 +0.067 A ATOM 30 C LIG 1 7.285 -1.377 -1.597 0.00 0.00 +0.047 A ATOM 31 C LIG 1 8.382 -0.664 -2.084 0.00 0.00 +0.043 A ATOM 32 CL LIG 1 9.939 -1.401 -2.091 0.00 0.00 -0.083 Cl ATOM 33 C LIG 1 8.235 0.635 -2.565 0.00 0.00 +0.020 A ATOM 34 C LIG 1 6.977 1.234 -2.561 0.00 0.00 +0.003 A ATOM 35 C LIG 1 5.871 0.531 -2.076 0.00 0.00 +0.028 A ENDBRANCH 26 29 ENDBRANCH 23 24 ENDBRANCH 21 23 ENDBRANCH 7 21 TORSDOF 10