ATOM 1 C01 5SC 985 2.228 2.289 0.032 1.00 20.00 C+0 ATOM 2 C02 5SC 985 1.612 1.046 -0.051 1.00 20.00 C+0 ATOM 3 N03 5SC 985 0.261 1.276 -0.116 1.00 20.00 N+0 ATOM 4 N04 5SC 985 0.063 2.661 -0.072 1.00 20.00 N+0 ATOM 5 C05 5SC 985 1.231 3.254 0.022 1.00 20.00 C+0 ATOM 6 N06 5SC 985 2.095 -0.202 -0.075 1.00 20.00 N+0 ATOM 7 C07 5SC 985 1.283 -1.244 -0.161 1.00 20.00 C+0 ATOM 8 C08 5SC 985 -0.108 -1.051 -0.230 1.00 20.00 C+0 ATOM 9 C09 5SC 985 -0.609 0.219 -0.206 1.00 20.00 C+0 ATOM 10 N10 5SC 985 -1.969 0.436 -0.271 1.00 20.00 N+0 ATOM 11 C11 5SC 985 1.842 -2.616 -0.185 1.00 20.00 C+0 ATOM 12 C12 5SC 985 -2.889 -0.700 -0.368 1.00 20.00 C+0 ATOM 13 C13 5SC 985 -4.307 -0.195 -0.425 1.00 20.00 C+0 ATOM 14 C14 5SC 985 -5.029 -0.003 0.738 1.00 20.00 C+0 ATOM 15 N15 5SC 985 -6.270 0.444 0.696 1.00 20.00 N+1 ATOM 16 C16 5SC 985 -6.868 0.723 -0.447 1.00 20.00 C+0 ATOM 17 C17 5SC 985 -6.208 0.555 -1.650 1.00 20.00 C+0 ATOM 18 C18 5SC 985 -4.903 0.088 -1.645 1.00 20.00 C+0 ATOM 19 C19 5SC 985 1.579 -3.498 0.862 1.00 20.00 C+0 ATOM 20 C20 5SC 985 2.101 -4.775 0.834 1.00 20.00 C+0 ATOM 21 C21 5SC 985 2.884 -5.181 -0.232 1.00 20.00 C+0 ATOM 22 C22 5SC 985 3.148 -4.311 -1.274 1.00 20.00 C+0 ATOM 23 C23 5SC 985 2.627 -3.033 -1.260 1.00 20.00 C+0 ATOM 24 BR24 5SC 985 4.089 2.607 0.147 1.00 20.00 BR+0 ATOM 25 C25 5SC 985 0.726 -3.056 2.024 1.00 20.00 C+0 ATOM 26 O26 5SC 985 -6.978 0.627 1.908 1.00 20.00 O-1 END