REMARK Name = BDB036092 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -2.364 0.195 0.064 0.00 0.00 -0.311 N ATOM 2 C LIG 1 -1.745 1.044 1.056 0.00 0.00 +0.115 C ATOM 3 C LIG 1 -0.374 0.747 0.422 0.00 0.00 +0.004 C ATOM 4 C LIG 1 0.457 -0.334 1.118 0.00 0.00 +0.025 C ATOM 5 C LIG 1 1.621 -0.753 0.210 0.00 0.00 +0.085 C ATOM 6 N LIG 1 2.079 0.321 -0.675 0.00 0.00 -0.302 NA ATOM 7 C LIG 1 1.941 1.655 -0.109 0.00 0.00 +0.085 C ATOM 8 C LIG 1 0.472 2.003 0.173 0.00 0.00 +0.025 C ATOM 9 C LIG 1 -1.196 0.256 -0.791 0.00 0.00 +0.115 C ENDROOT BRANCH 1 11 ATOM 10 C LIG 1 -3.622 -1.795 -0.610 0.00 0.00 +0.186 A ATOM 11 C LIG 1 -2.991 -1.041 0.376 0.00 0.00 +0.167 A ATOM 12 N LIG 1 -2.951 -1.467 1.661 0.00 0.00 -0.217 NA ATOM 13 C LIG 1 -3.495 -2.663 1.931 0.00 0.00 +0.223 A ATOM 14 N LIG 1 -4.078 -3.483 1.052 0.00 0.00 -0.240 NA ATOM 15 C LIG 1 -4.130 -3.018 -0.212 0.00 0.00 +0.162 A BRANCH 10 16 ATOM 16 O LIG 1 -3.712 -1.484 -1.940 0.00 0.00 -0.450 OA BRANCH 16 18 ATOM 17 C LIG 1 -5.545 0.180 -1.851 0.00 0.00 +0.082 A ATOM 18 C LIG 1 -4.304 -0.294 -2.302 0.00 0.00 +0.141 A ATOM 19 C LIG 1 -3.608 0.432 -3.280 0.00 0.00 +0.050 A ATOM 20 C LIG 1 -4.116 1.636 -3.768 0.00 0.00 +0.042 A ATOM 21 C LIG 1 -5.340 2.098 -3.304 0.00 0.00 +0.124 A ATOM 22 F LIG 1 -5.839 3.243 -3.785 0.00 0.00 -0.205 F ATOM 23 C LIG 1 -6.069 1.376 -2.368 0.00 0.00 +0.055 A BRANCH 17 25 ATOM 24 N LIG 1 -6.889 -0.057 0.226 0.00 0.00 -0.295 N ATOM 25 C LIG 1 -6.428 -0.615 -0.974 0.00 0.00 +0.250 C ATOM 26 O LIG 1 -6.768 -1.716 -1.402 0.00 0.00 -0.270 OA BRANCH 24 27 ATOM 27 C LIG 1 -8.002 -0.712 0.942 0.00 0.00 +0.070 C ATOM 28 C LIG 1 -7.602 -2.061 1.541 0.00 0.00 +0.028 C ATOM 29 C LIG 1 -9.265 -0.832 0.083 0.00 0.00 +0.028 C ENDBRANCH 24 27 BRANCH 24 31 ATOM 30 C LIG 1 -5.789 0.940 2.253 0.00 0.00 +0.024 C ATOM 31 C LIG 1 -6.310 1.152 0.838 0.00 0.00 +0.105 C ENDBRANCH 24 31 ENDBRANCH 17 25 ENDBRANCH 16 18 ENDBRANCH 10 16 ENDBRANCH 1 11 BRANCH 6 32 ATOM 32 C LIG 1 3.348 0.047 -1.354 0.00 0.00 +0.088 C BRANCH 32 33 ATOM 33 C LIG 1 4.670 0.529 -0.703 0.00 0.00 +0.006 C ATOM 34 C LIG 1 5.009 -0.089 0.675 0.00 0.00 -0.006 C ATOM 35 C LIG 1 6.237 0.653 1.248 0.00 0.00 +0.011 C ATOM 36 C LIG 1 7.463 0.503 0.312 0.00 0.00 -0.019 C ATOM 37 C LIG 1 7.043 -0.370 -0.918 0.00 0.00 -0.004 C ATOM 38 C LIG 1 6.538 -1.751 -0.447 0.00 0.00 +0.004 C ATOM 39 C LIG 1 8.031 1.881 -0.110 0.00 0.00 +0.081 C ATOM 40 C LIG 1 9.487 1.574 -0.358 0.00 0.00 +0.134 C ATOM 41 O LIG 1 10.248 2.318 -0.963 0.00 0.00 -0.297 OA ATOM 42 C LIG 1 9.898 0.255 0.234 0.00 0.00 +0.075 C ATOM 43 C LIG 1 8.675 -0.085 1.078 0.00 0.00 +0.015 C ATOM 44 C LIG 1 5.375 -1.577 0.535 0.00 0.00 +0.004 C ATOM 45 C LIG 1 5.856 0.275 -1.669 0.00 0.00 +0.009 C ENDBRANCH 32 33 ENDBRANCH 6 32 TORSDOF 8