REMARK Name = LIG000362 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -3.149 -0.703 -0.356 0.00 0.00 -0.282 N ATOM 2 C LIG 1 -3.509 -1.860 -1.034 0.00 0.00 +0.248 C ATOM 3 O LIG 1 -4.577 -2.439 -1.024 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -2.331 -2.300 -1.789 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -1.270 -1.459 -1.464 0.00 0.00 -0.003 A ATOM 6 C LIG 1 -0.026 -1.659 -2.038 0.00 0.00 +0.030 A ATOM 7 C LIG 1 0.123 -2.716 -2.947 0.00 0.00 +0.017 A ATOM 8 C LIG 1 -0.961 -3.558 -3.263 0.00 0.00 +0.002 A ATOM 9 C LIG 1 -2.211 -3.354 -2.676 0.00 0.00 +0.013 A ATOM 10 C LIG 1 -1.712 -0.451 -0.459 0.00 0.00 +0.146 C ENDROOT BRANCH 1 17 ATOM 11 O LIG 1 -4.493 3.800 -0.627 0.00 0.00 -0.275 OA ATOM 12 C LIG 1 -4.459 2.658 -0.178 0.00 0.00 +0.219 C ATOM 13 N LIG 1 -3.682 2.356 0.910 0.00 0.00 -0.255 N ATOM 14 H LIG 1 -3.166 3.130 1.305 0.00 0.00 +0.158 HD ATOM 15 C LIG 1 -3.323 1.107 1.359 0.00 0.00 +0.240 C ATOM 16 O LIG 1 -2.405 0.983 2.170 0.00 0.00 -0.273 OA ATOM 17 C LIG 1 -3.996 -0.094 0.676 0.00 0.00 +0.163 C ATOM 18 C LIG 1 -5.364 0.352 0.146 0.00 0.00 +0.041 C ATOM 19 C LIG 1 -5.202 1.514 -0.823 0.00 0.00 +0.098 C ENDBRANCH 1 17 BRANCH 6 20 ATOM 20 C LIG 1 1.083 -0.821 -1.714 0.00 0.00 -0.064 C ATOM 21 C LIG 1 2.015 -0.117 -1.432 0.00 0.00 -0.069 C BRANCH 21 22 ATOM 22 C LIG 1 3.153 0.738 -1.079 0.00 0.00 +0.249 C BRANCH 22 23 ATOM 23 O LIG 1 4.338 -0.038 -0.903 0.00 0.00 -0.363 OA BRANCH 23 24 ATOM 24 C LIG 1 4.417 -0.676 0.373 0.00 0.00 +0.196 C BRANCH 24 25 ATOM 25 C LIG 1 4.829 0.285 1.461 0.00 0.00 -0.022 A ATOM 26 C LIG 1 5.910 1.159 1.271 0.00 0.00 +0.006 A ATOM 27 C LIG 1 6.300 2.035 2.284 0.00 0.00 +0.000 A ATOM 28 C LIG 1 5.620 2.041 3.501 0.00 0.00 +0.000 A ATOM 29 C LIG 1 4.551 1.170 3.705 0.00 0.00 +0.000 A ATOM 30 C LIG 1 4.158 0.294 2.692 0.00 0.00 +0.006 A ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 6 20 TORSDOF 6