REMARK Name = BDB027448 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.081 0.328 -0.806 0.00 0.00 +0.053 A ATOM 2 C LIG 1 -0.879 0.275 0.220 0.00 0.00 -0.003 A ATOM 3 C LIG 1 -1.863 1.283 0.297 0.00 0.00 +0.035 A ATOM 4 C LIG 1 -1.894 2.316 -0.635 0.00 0.00 +0.071 A ATOM 5 N LIG 1 -0.979 2.386 -1.624 0.00 0.00 -0.253 NA ATOM 6 C LIG 1 -0.045 1.405 -1.691 0.00 0.00 +0.134 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -2.907 3.390 -0.622 0.00 0.00 +0.003 A ATOM 8 C LIG 1 -4.229 3.164 -0.193 0.00 0.00 +0.051 A ATOM 9 C LIG 1 -5.163 4.199 -0.191 0.00 0.00 +0.159 A ATOM 10 F LIG 1 -6.411 3.949 0.228 0.00 0.00 -0.202 F ATOM 11 C LIG 1 -4.811 5.472 -0.616 0.00 0.00 +0.158 A ATOM 12 F LIG 1 -5.714 6.462 -0.608 0.00 0.00 -0.202 F ATOM 13 C LIG 1 -3.521 5.727 -1.056 0.00 0.00 +0.042 A ATOM 14 C LIG 1 -2.579 4.692 -1.060 0.00 0.00 +0.013 A ENDBRANCH 4 7 BRANCH 1 17 ATOM 15 C LIG 1 3.598 -0.407 -0.535 0.00 0.00 +0.061 C ATOM 16 C LIG 1 2.174 -0.587 0.093 0.00 0.00 +0.132 C ATOM 17 N LIG 1 1.086 -0.634 -0.921 0.00 0.00 -0.326 N ATOM 18 C LIG 1 1.433 -1.126 -2.264 0.00 0.00 +0.105 C ATOM 19 C LIG 1 2.568 -2.137 -2.170 0.00 0.00 +0.021 C ATOM 20 C LIG 1 3.846 -1.525 -1.583 0.00 0.00 +0.030 C BRANCH 15 25 ATOM 21 C LIG 1 7.920 0.259 1.999 0.00 0.00 +0.172 C ATOM 22 N LIG 1 6.589 -0.136 1.608 0.00 0.00 -0.274 N ATOM 23 N LIG 1 5.851 -0.894 2.436 0.00 0.00 -0.180 NA ATOM 24 C LIG 1 4.713 -1.077 1.764 0.00 0.00 +0.139 A ATOM 25 C LIG 1 4.696 -0.419 0.507 0.00 0.00 +0.011 A ATOM 26 C LIG 1 5.950 0.168 0.445 0.00 0.00 +0.113 A ENDBRANCH 15 25 BRANCH 15 27 ATOM 27 N LIG 1 3.675 0.910 -1.213 0.00 0.00 -0.320 NA ATOM 28 H LIG 1 2.818 1.054 -1.741 0.00 0.00 +0.119 HD ATOM 29 H LIG 1 3.661 1.640 -0.499 0.00 0.00 +0.119 HD ENDBRANCH 15 27 ENDBRANCH 1 17 BRANCH 2 30 ATOM 30 C LIG 1 -0.972 -0.879 1.192 0.00 0.00 +0.160 C BRANCH 30 31 ATOM 31 N LIG 1 -1.967 -1.849 0.765 0.00 0.00 -0.325 N ATOM 32 C LIG 1 -3.233 -2.021 1.274 0.00 0.00 +0.074 A ATOM 33 C LIG 1 -3.750 -3.093 0.546 0.00 0.00 +0.128 A ATOM 34 C LIG 1 -5.064 -3.543 0.813 0.00 0.00 +0.144 A ATOM 35 N LIG 1 -5.802 -2.907 1.756 0.00 0.00 -0.238 NA ATOM 36 C LIG 1 -5.255 -1.878 2.445 0.00 0.00 +0.115 A ATOM 37 N LIG 1 -2.826 -3.551 -0.375 0.00 0.00 -0.232 NA ATOM 38 C LIG 1 -3.973 -1.377 2.264 0.00 0.00 +0.048 A ATOM 39 C LIG 1 -1.768 -2.791 -0.208 0.00 0.00 +0.200 A BRANCH 34 40 ATOM 40 N LIG 1 -5.654 -4.600 0.131 0.00 0.00 -0.341 N ATOM 41 H LIG 1 -6.663 -4.531 0.157 0.00 0.00 +0.144 HD ATOM 42 H LIG 1 -5.215 -4.773 -0.766 0.00 0.00 +0.144 HD ENDBRANCH 34 40 ENDBRANCH 30 31 ENDBRANCH 2 30 TORSDOF 7