REMARK Name = LIG000236 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.262 -0.245 2.463 0.00 0.00 +0.129 A ATOM 2 C LIG 1 -0.681 -0.860 3.318 0.00 0.00 +0.024 A ATOM 3 C LIG 1 -0.626 -0.587 4.697 0.00 0.00 +0.012 A ATOM 4 C LIG 1 0.332 0.279 5.221 0.00 0.00 +0.001 A ATOM 5 C LIG 1 1.251 0.885 4.372 0.00 0.00 +0.004 A ATOM 6 C LIG 1 1.218 0.626 3.000 0.00 0.00 +0.046 A ENDROOT BRANCH 2 7 ATOM 7 C LIG 1 -1.727 -1.764 2.813 0.00 0.00 -0.009 A ATOM 8 C LIG 1 -2.794 -1.308 2.046 0.00 0.00 -0.010 A ATOM 9 C LIG 1 -3.104 0.073 1.570 0.00 0.00 +0.145 C ATOM 10 N LIG 1 -4.367 -0.103 0.868 0.00 0.00 -0.282 N ATOM 11 C LIG 1 -4.759 -1.427 0.819 0.00 0.00 +0.248 C ATOM 12 O LIG 1 -5.724 -1.904 0.255 0.00 0.00 -0.270 OA ATOM 13 C LIG 1 -3.776 -2.191 1.595 0.00 0.00 +0.042 A ATOM 14 C LIG 1 -3.756 -3.544 1.871 0.00 0.00 +0.013 A ATOM 15 C LIG 1 -2.698 -4.022 2.640 0.00 0.00 +0.001 A ATOM 16 C LIG 1 -1.699 -3.144 3.105 0.00 0.00 +0.009 A BRANCH 10 17 ATOM 17 C LIG 1 -4.958 0.988 0.104 0.00 0.00 +0.163 C ATOM 18 C LIG 1 -6.460 1.103 0.383 0.00 0.00 +0.240 C ATOM 19 O LIG 1 -6.909 1.436 1.480 0.00 0.00 -0.273 OA ATOM 20 N LIG 1 -7.307 0.760 -0.643 0.00 0.00 -0.255 N ATOM 21 H LIG 1 -8.293 0.804 -0.428 0.00 0.00 +0.158 HD ATOM 22 C LIG 1 -6.991 0.224 -1.865 0.00 0.00 +0.219 C ATOM 23 O LIG 1 -7.874 -0.088 -2.662 0.00 0.00 -0.275 OA ATOM 24 C LIG 1 -5.528 0.021 -2.173 0.00 0.00 +0.098 C ATOM 25 C LIG 1 -4.640 0.970 -1.389 0.00 0.00 +0.041 C ENDBRANCH 10 17 ENDBRANCH 2 7 BRANCH 1 26 ATOM 26 O LIG 1 0.163 -0.569 1.133 0.00 0.00 -0.482 OA BRANCH 26 27 ATOM 27 C LIG 1 1.037 0.057 0.204 0.00 0.00 +0.326 C BRANCH 27 29 ATOM 28 O LIG 1 -0.424 2.018 0.122 0.00 0.00 -0.270 OA ATOM 29 C LIG 1 0.647 1.490 -0.181 0.00 0.00 +0.270 C ATOM 30 N LIG 1 1.571 2.194 -0.922 0.00 0.00 -0.204 N ATOM 31 H LIG 1 1.313 3.138 -1.191 0.00 0.00 +0.177 HD BRANCH 30 32 ATOM 32 N LIG 1 2.752 1.649 -1.319 0.00 0.00 -0.188 NA ATOM 33 C LIG 1 3.501 2.421 -2.038 0.00 0.00 +0.130 C BRANCH 33 34 ATOM 34 C LIG 1 4.822 2.027 -2.579 0.00 0.00 +0.022 C ATOM 35 C LIG 1 5.340 0.818 -2.323 0.00 0.00 +0.009 C BRANCH 35 36 ATOM 36 C LIG 1 6.635 0.360 -2.845 0.00 0.00 -0.025 A ATOM 37 C LIG 1 7.755 1.199 -2.911 0.00 0.00 +0.008 A ATOM 38 C LIG 1 8.975 0.717 -3.392 0.00 0.00 +0.001 A ATOM 39 C LIG 1 9.090 -0.610 -3.801 0.00 0.00 +0.000 A ATOM 40 C LIG 1 7.988 -1.458 -3.724 0.00 0.00 +0.001 A ATOM 41 C LIG 1 6.768 -0.977 -3.242 0.00 0.00 +0.008 A ENDBRANCH 35 36 ENDBRANCH 33 34 ENDBRANCH 30 32 ENDBRANCH 27 29 ENDBRANCH 26 27 ENDBRANCH 1 26 TORSDOF 8