REMARK Name = BDB023972 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.286 -0.497 -2.953 0.00 0.00 +0.045 A ATOM 2 C LIG 1 0.050 0.020 -2.747 0.00 0.00 +0.148 A ATOM 3 N LIG 1 0.763 0.450 -3.865 0.00 0.00 -0.305 N ATOM 4 C LIG 1 1.979 0.909 -3.423 0.00 0.00 +0.121 A ATOM 5 C LIG 1 1.974 0.723 -2.059 0.00 0.00 +0.090 A ATOM 6 C LIG 1 0.282 0.397 -5.166 0.00 0.00 +0.093 A ATOM 7 C LIG 1 -0.945 -0.095 -5.382 0.00 0.00 +0.019 A ATOM 8 N LIG 1 0.782 0.167 -1.658 0.00 0.00 -0.227 NA ATOM 9 C LIG 1 -1.726 -0.543 -4.241 0.00 0.00 +0.015 A ENDROOT BRANCH 1 15 ATOM 10 C LIG 1 0.041 2.064 2.102 0.00 0.00 +0.109 C ATOM 11 C LIG 1 -1.379 1.668 2.425 0.00 0.00 +0.213 C ATOM 12 N LIG 1 -2.016 0.807 1.537 0.00 0.00 -0.297 N ATOM 13 C LIG 1 -1.443 0.518 0.201 0.00 0.00 +0.146 C ATOM 14 C LIG 1 -2.232 -0.509 -0.540 0.00 0.00 +0.019 A ATOM 15 C LIG 1 -2.166 -0.965 -1.889 0.00 0.00 +0.101 A ATOM 16 N LIG 1 -3.119 -1.893 -2.109 0.00 0.00 -0.170 NA ATOM 17 N LIG 1 -3.761 -2.046 -0.935 0.00 0.00 -0.264 N ATOM 18 C LIG 1 -3.293 -1.196 0.018 0.00 0.00 +0.046 A ATOM 19 C LIG 1 -3.781 -0.966 1.400 0.00 0.00 +0.074 C ATOM 20 C LIG 1 -3.430 0.482 1.788 0.00 0.00 +0.114 C ATOM 21 O LIG 1 -1.920 2.088 3.449 0.00 0.00 -0.276 OA BRANCH 17 22 ATOM 22 C LIG 1 -4.862 -3.002 -0.882 0.00 0.00 +0.112 C ATOM 23 C LIG 1 -6.226 -2.311 -0.900 0.00 0.00 +0.055 C ATOM 24 C LIG 1 -7.348 -3.343 -0.946 0.00 0.00 +0.162 C ATOM 25 O LIG 1 -7.003 -4.591 -0.345 0.00 0.00 -0.380 OA ATOM 26 C LIG 1 -6.115 -4.457 0.758 0.00 0.00 +0.162 C ATOM 27 C LIG 1 -4.744 -4.020 0.262 0.00 0.00 +0.055 C ENDBRANCH 17 22 ENDBRANCH 1 15 BRANCH 5 28 ATOM 28 C LIG 1 3.047 1.045 -1.134 0.00 0.00 +0.002 A ATOM 29 C LIG 1 3.056 0.472 0.139 0.00 0.00 +0.012 A ATOM 30 C LIG 1 4.071 0.776 1.059 0.00 0.00 +0.024 A ATOM 31 C LIG 1 5.115 1.659 0.751 0.00 0.00 +0.030 A ATOM 32 C LIG 1 5.090 2.221 -0.534 0.00 0.00 +0.024 A ATOM 33 C LIG 1 4.079 1.925 -1.463 0.00 0.00 +0.012 A BRANCH 31 34 ATOM 34 N LIG 1 6.106 1.956 1.656 0.00 0.00 -0.330 N ATOM 35 C LIG 1 6.248 1.312 2.960 0.00 0.00 +0.105 C ATOM 36 C LIG 1 7.631 1.749 3.437 0.00 0.00 +0.020 C ATOM 37 C LIG 1 7.789 3.125 2.816 0.00 0.00 +0.020 C ATOM 38 C LIG 1 7.146 2.959 1.441 0.00 0.00 +0.105 C ENDBRANCH 31 34 ENDBRANCH 5 28 TORSDOF 4