REMARK Name = LIG001550 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.763 -2.802 -0.600 0.00 0.00 +0.139 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.552 -2.091 -0.412 0.00 0.00 -0.030 A ATOM 3 C LIG 1 0.828 -0.923 -1.149 0.00 0.00 +0.011 A ATOM 4 C LIG 1 2.011 -0.248 -0.904 0.00 0.00 -0.018 A ATOM 5 C LIG 1 2.547 0.996 -1.528 0.00 0.00 +0.144 C ATOM 6 N LIG 1 3.770 1.231 -0.773 0.00 0.00 -0.282 N ATOM 7 C LIG 1 4.059 0.182 0.087 0.00 0.00 +0.248 C ATOM 8 O LIG 1 5.058 0.003 0.754 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 2.909 -0.729 0.045 0.00 0.00 +0.042 A ATOM 10 C LIG 1 2.678 -1.875 0.781 0.00 0.00 +0.014 A ATOM 11 C LIG 1 1.479 -2.554 0.551 0.00 0.00 +0.006 A BRANCH 6 12 ATOM 12 C LIG 1 4.730 2.249 -1.186 0.00 0.00 +0.163 C ATOM 13 C LIG 1 5.739 1.682 -2.196 0.00 0.00 +0.240 C ATOM 14 O LIG 1 5.467 0.792 -3.001 0.00 0.00 -0.273 OA ATOM 15 N LIG 1 6.961 2.313 -2.247 0.00 0.00 -0.255 N ATOM 16 H LIG 1 7.611 1.962 -2.936 0.00 0.00 +0.158 HD ATOM 17 C LIG 1 7.361 3.431 -1.558 0.00 0.00 +0.219 C ATOM 18 O LIG 1 8.433 3.977 -1.807 0.00 0.00 -0.275 OA ATOM 19 C LIG 1 6.381 3.999 -0.558 0.00 0.00 +0.098 C ATOM 20 C LIG 1 5.455 2.921 -0.020 0.00 0.00 +0.041 C ENDBRANCH 6 12 ENDBRANCH 1 2 BRANCH 1 22 ATOM 21 C LIG 1 -3.095 -2.587 0.159 0.00 0.00 +0.234 C ATOM 22 N LIG 1 -1.794 -2.147 0.169 0.00 0.00 -0.310 N ATOM 23 H LIG 1 -1.563 -1.273 0.627 0.00 0.00 +0.149 HD ATOM 24 O LIG 1 -3.459 -3.585 -0.461 0.00 0.00 -0.274 OA BRANCH 21 25 ATOM 25 C LIG 1 -4.078 -1.722 0.972 0.00 0.00 +0.163 C BRANCH 25 27 ATOM 26 C LIG 1 -6.053 -2.279 2.347 0.00 0.00 +0.237 C ATOM 27 N LIG 1 -5.215 -2.575 1.308 0.00 0.00 -0.300 N ATOM 28 H LIG 1 -5.330 -3.420 0.756 0.00 0.00 +0.150 HD ATOM 29 O LIG 1 -5.937 -1.284 3.050 0.00 0.00 -0.271 OA BRANCH 26 31 ATOM 30 C LIG 1 -8.033 -3.139 3.508 0.00 0.00 +0.013 C ATOM 31 C LIG 1 -7.122 -3.289 2.538 0.00 0.00 +0.059 C ENDBRANCH 26 31 ENDBRANCH 25 27 BRANCH 25 32 ATOM 32 C LIG 1 -4.528 -0.487 0.170 0.00 0.00 +0.067 C BRANCH 32 33 ATOM 33 C LIG 1 -3.442 0.543 -0.049 0.00 0.00 -0.045 A ATOM 34 C LIG 1 -2.913 1.261 1.035 0.00 0.00 +0.006 A ATOM 35 C LIG 1 -1.886 2.184 0.833 0.00 0.00 +0.038 A ATOM 36 C LIG 1 -1.401 2.402 -0.450 0.00 0.00 +0.123 A ATOM 37 F LIG 1 -0.407 3.279 -0.643 0.00 0.00 -0.205 F ATOM 38 C LIG 1 -1.927 1.717 -1.539 0.00 0.00 +0.038 A ATOM 39 C LIG 1 -2.946 0.785 -1.339 0.00 0.00 +0.006 A ENDBRANCH 32 33 ENDBRANCH 25 32 ENDBRANCH 21 25 ENDBRANCH 1 22 TORSDOF 8