REMARK Name = BDB018930 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.361 1.711 0.117 0.00 0.00 -0.300 N ATOM 2 C LIG 1 0.955 1.187 0.022 0.00 0.00 +0.038 A ATOM 3 C LIG 1 2.056 1.994 -0.317 0.00 0.00 -0.025 A ATOM 4 C LIG 1 3.345 1.438 -0.403 0.00 0.00 +0.014 A ATOM 5 C LIG 1 3.577 0.087 -0.110 0.00 0.00 -0.006 A ATOM 6 C LIG 1 2.499 -0.730 0.262 0.00 0.00 +0.027 A ATOM 7 C LIG 1 1.882 3.458 -0.620 0.00 0.00 +0.038 C ATOM 8 C LIG 1 0.598 3.987 -0.006 0.00 0.00 +0.024 C ATOM 9 C LIG 1 1.212 -0.160 0.340 0.00 0.00 +0.033 A ATOM 10 C LIG 1 -0.554 3.079 -0.405 0.00 0.00 +0.111 C ENDROOT BRANCH 1 21 ATOM 11 C LIG 1 -3.856 0.464 0.776 0.00 0.00 -0.020 A ATOM 12 C LIG 1 -3.971 -0.452 -0.261 0.00 0.00 +0.073 A ATOM 13 N LIG 1 -5.011 -1.316 -0.664 0.00 0.00 -0.295 N ATOM 14 C LIG 1 -4.602 -2.042 -1.808 0.00 0.00 +0.330 A ATOM 15 N LIG 1 -3.295 -1.620 -2.096 0.00 0.00 -0.295 N ATOM 16 C LIG 1 -2.482 -2.104 -3.174 0.00 0.00 +0.154 C ATOM 17 O LIG 1 -5.257 -2.867 -2.426 0.00 0.00 -0.246 OA ATOM 18 C LIG 1 -6.313 -1.447 -0.085 0.00 0.00 +0.154 C ATOM 19 C LIG 1 -2.909 -0.653 -1.160 0.00 0.00 +0.072 A ATOM 20 C LIG 1 -1.711 0.029 -1.076 0.00 0.00 +0.051 A ATOM 21 C LIG 1 -1.559 0.956 -0.040 0.00 0.00 +0.036 A ATOM 22 C LIG 1 -2.627 1.159 0.867 0.00 0.00 +0.029 A BRANCH 11 24 ATOM 23 C LIG 1 -4.732 -0.163 3.041 0.00 0.00 +0.009 C ATOM 24 C LIG 1 -4.898 0.736 1.824 0.00 0.00 +0.034 C ENDBRANCH 11 24 ENDBRANCH 1 21 BRANCH 5 25 ATOM 25 C LIG 1 4.934 -0.408 -0.208 0.00 0.00 +0.020 A ATOM 26 C LIG 1 5.655 -0.943 0.838 0.00 0.00 +0.116 A ATOM 27 N LIG 1 6.884 -1.252 0.332 0.00 0.00 -0.274 N ATOM 28 C LIG 1 7.993 -1.842 1.042 0.00 0.00 +0.172 C ATOM 29 N LIG 1 7.019 -0.945 -0.972 0.00 0.00 -0.179 NA ATOM 30 C LIG 1 5.835 -0.416 -1.295 0.00 0.00 +0.142 A ENDBRANCH 5 25 BRANCH 6 31 ATOM 31 C LIG 1 2.671 -2.190 0.595 0.00 0.00 +0.372 C ATOM 32 F LIG 1 3.136 -2.389 1.861 0.00 0.00 -0.204 F ATOM 33 F LIG 1 1.503 -2.896 0.525 0.00 0.00 -0.204 F ENDBRANCH 6 31 TORSDOF 4