REMARK Name = LIG000897 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.346 -1.196 -2.332 0.00 0.00 +0.234 C ATOM 2 N LIG 1 0.993 -1.451 -2.123 0.00 0.00 -0.310 N ATOM 3 H LIG 1 1.256 -2.116 -1.408 0.00 0.00 +0.149 HD ATOM 4 O LIG 1 -0.755 -0.267 -3.026 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 7 ATOM 5 C LIG 1 -2.444 -0.882 0.025 0.00 0.00 +0.237 C ATOM 6 N LIG 1 -2.492 -1.547 -1.179 0.00 0.00 -0.286 N ATOM 7 C LIG 1 -1.286 -2.217 -1.671 0.00 0.00 +0.164 C ATOM 8 C LIG 1 -1.776 -3.236 -2.708 0.00 0.00 +0.065 C ATOM 9 C LIG 1 -3.244 -3.426 -2.343 0.00 0.00 +0.134 C ATOM 10 C LIG 1 -3.661 -2.022 -1.908 0.00 0.00 +0.140 C ATOM 11 O LIG 1 -1.380 -0.782 0.650 0.00 0.00 -0.274 OA BRANCH 9 12 ATOM 12 O LIG 1 -3.328 -4.362 -1.265 0.00 0.00 -0.390 OA ATOM 13 H LIG 1 -3.854 -3.964 -0.537 0.00 0.00 +0.210 HD ENDBRANCH 9 12 BRANCH 5 14 ATOM 14 C LIG 1 -3.757 -0.325 0.625 0.00 0.00 +0.164 C BRANCH 14 17 ATOM 15 C LIG 1 -4.194 -2.870 3.398 0.00 0.00 +0.109 C ATOM 16 C LIG 1 -4.278 -2.288 2.013 0.00 0.00 +0.211 C ATOM 17 N LIG 1 -3.884 -0.967 1.938 0.00 0.00 -0.304 N ATOM 18 H LIG 1 -3.203 -0.679 2.631 0.00 0.00 +0.149 HD ATOM 19 O LIG 1 -4.638 -2.951 1.043 0.00 0.00 -0.276 OA ENDBRANCH 14 17 BRANCH 14 20 ATOM 20 C LIG 1 -3.792 1.234 0.693 0.00 0.00 -0.011 C ATOM 21 C LIG 1 -2.679 1.842 1.568 0.00 0.00 +0.013 C ATOM 22 C LIG 1 -5.153 1.683 1.268 0.00 0.00 +0.013 C ATOM 23 C LIG 1 -3.664 1.813 -0.731 0.00 0.00 +0.013 C ENDBRANCH 14 20 ENDBRANCH 5 14 ENDBRANCH 1 7 BRANCH 2 24 ATOM 24 C LIG 1 2.028 -0.549 -2.590 0.00 0.00 +0.140 C BRANCH 24 25 ATOM 25 C LIG 1 2.679 0.266 -1.482 0.00 0.00 -0.023 A ATOM 26 C LIG 1 4.012 0.764 -1.611 0.00 0.00 -0.013 A ATOM 27 C LIG 1 4.587 1.517 -0.546 0.00 0.00 -0.009 A ATOM 28 C LIG 1 5.917 1.986 -0.690 0.00 0.00 +0.009 A ATOM 29 C LIG 1 6.670 1.742 -1.837 0.00 0.00 +0.001 A ATOM 30 C LIG 1 6.109 1.027 -2.880 0.00 0.00 +0.001 A ATOM 31 C LIG 1 3.812 1.784 0.615 0.00 0.00 -0.002 A ATOM 32 C LIG 1 2.495 1.323 0.702 0.00 0.00 +0.010 A ATOM 33 C LIG 1 4.802 0.550 -2.768 0.00 0.00 +0.009 A ATOM 34 C LIG 1 1.935 0.586 -0.334 0.00 0.00 +0.006 A BRANCH 31 35 ATOM 35 C LIG 1 4.345 2.528 1.759 0.00 0.00 +0.042 A ATOM 36 C LIG 1 5.122 2.092 2.822 0.00 0.00 +0.053 A ATOM 37 C LIG 1 5.615 0.709 3.054 0.00 0.00 +0.067 C ATOM 38 N LIG 1 5.458 3.077 3.741 0.00 0.00 -0.252 NA ATOM 39 C LIG 1 4.931 4.223 3.371 0.00 0.00 +0.156 A ATOM 40 S LIG 1 4.016 4.205 1.924 0.00 0.00 -0.075 S ENDBRANCH 31 35 ENDBRANCH 24 25 ENDBRANCH 2 24 TORSDOF 8