REMARK Name = LIG000267 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.422 1.151 -0.437 0.00 0.00 +0.044 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 1.902 1.251 -0.151 0.00 0.00 -0.046 A ATOM 3 C LIG 1 2.784 0.286 -0.657 0.00 0.00 +0.017 A ATOM 4 C LIG 1 4.125 0.417 -0.349 0.00 0.00 +0.042 A ATOM 5 C LIG 1 5.249 -0.440 -0.740 0.00 0.00 +0.248 C ATOM 6 N LIG 1 6.381 0.079 -0.127 0.00 0.00 -0.282 N ATOM 7 C LIG 1 6.106 1.337 0.557 0.00 0.00 +0.144 C ATOM 8 O LIG 1 5.168 -1.417 -1.459 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 4.624 1.460 0.429 0.00 0.00 -0.018 A ATOM 10 C LIG 1 3.768 2.420 0.936 0.00 0.00 +0.006 A ATOM 11 C LIG 1 2.402 2.308 0.646 0.00 0.00 +0.004 A BRANCH 6 12 ATOM 12 C LIG 1 7.723 -0.365 -0.484 0.00 0.00 +0.163 C ATOM 13 C LIG 1 8.371 0.531 -1.554 0.00 0.00 +0.240 C ATOM 14 O LIG 1 7.774 1.389 -2.199 0.00 0.00 -0.273 OA ATOM 15 N LIG 1 9.717 0.324 -1.755 0.00 0.00 -0.255 N ATOM 16 H LIG 1 10.138 0.930 -2.446 0.00 0.00 +0.158 HD ATOM 17 C LIG 1 10.594 -0.179 -0.828 0.00 0.00 +0.219 C ATOM 18 O LIG 1 11.801 0.025 -0.922 0.00 0.00 -0.275 OA ATOM 19 C LIG 1 9.998 -1.002 0.290 0.00 0.00 +0.098 C ATOM 20 C LIG 1 8.651 -0.445 0.724 0.00 0.00 +0.041 C ENDBRANCH 6 12 ENDBRANCH 1 2 BRANCH 1 21 ATOM 21 C LIG 1 -0.268 0.192 0.530 0.00 0.00 +0.101 C BRANCH 21 24 ATOM 22 N LIG 1 -2.370 -0.801 1.129 0.00 0.00 -0.285 N ATOM 23 H LIG 1 -1.759 -1.295 1.769 0.00 0.00 +0.155 HD ATOM 24 C LIG 1 -1.763 0.108 0.276 0.00 0.00 +0.218 C ATOM 25 O LIG 1 -2.317 0.784 -0.583 0.00 0.00 -0.275 OA BRANCH 22 30 ATOM 26 C LIG 1 -7.880 -2.386 1.587 0.00 0.00 +0.047 C ATOM 27 C LIG 1 -6.446 -1.943 1.438 0.00 0.00 -0.011 A ATOM 28 C LIG 1 -6.084 -0.947 0.502 0.00 0.00 +0.036 A ATOM 29 C LIG 1 -4.731 -0.564 0.401 0.00 0.00 +0.046 A ATOM 30 C LIG 1 -3.738 -1.143 1.194 0.00 0.00 +0.037 A ATOM 31 C LIG 1 -4.107 -2.115 2.122 0.00 0.00 +0.043 A ATOM 32 C LIG 1 -5.444 -2.506 2.248 0.00 0.00 +0.047 A ATOM 33 CL LIG 1 -5.805 -3.701 3.447 0.00 0.00 -0.083 Cl BRANCH 28 34 ATOM 34 N LIG 1 -7.087 -0.338 -0.280 0.00 0.00 -0.325 N ATOM 35 C LIG 1 -6.763 -0.126 -1.710 0.00 0.00 +0.133 C ATOM 36 C LIG 1 -8.016 0.396 -2.433 0.00 0.00 +0.178 C ATOM 37 O LIG 1 -8.485 1.623 -1.843 0.00 0.00 -0.377 OA ATOM 38 C LIG 1 -8.805 1.418 -0.456 0.00 0.00 +0.178 C ATOM 39 C LIG 1 -7.590 0.911 0.341 0.00 0.00 +0.133 C ENDBRANCH 28 34 ENDBRANCH 22 30 ENDBRANCH 21 24 ENDBRANCH 1 21 TORSDOF 6