REMARK Name = BDB049935 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.494 0.641 -0.048 0.00 0.00 -0.285 N ATOM 2 H LIG 1 0.479 1.097 0.857 0.00 0.00 +0.155 HD ATOM 3 C LIG 1 -0.643 0.772 -0.829 0.00 0.00 +0.217 C ATOM 4 O LIG 1 -0.815 0.311 -1.951 0.00 0.00 -0.275 OA ENDROOT BRANCH 1 7 ATOM 5 C LIG 1 3.918 -0.697 0.357 0.00 0.00 +0.038 A ATOM 6 C LIG 1 2.706 -0.029 0.588 0.00 0.00 +0.036 A ATOM 7 C LIG 1 1.678 -0.059 -0.362 0.00 0.00 +0.034 A ATOM 8 C LIG 1 1.875 -0.773 -1.545 0.00 0.00 +0.023 A ATOM 9 C LIG 1 3.074 -1.456 -1.773 0.00 0.00 +0.003 A ATOM 10 C LIG 1 4.095 -1.424 -0.824 0.00 0.00 +0.013 A BRANCH 5 13 ATOM 11 N LIG 1 6.274 -0.804 0.987 0.00 0.00 -0.311 N ATOM 12 H LIG 1 6.461 -0.679 0.002 0.00 0.00 +0.149 HD ATOM 13 C LIG 1 4.971 -0.624 1.409 0.00 0.00 +0.244 C ATOM 14 O LIG 1 4.661 -0.377 2.569 0.00 0.00 -0.270 OA BRANCH 11 15 ATOM 15 C LIG 1 7.373 -0.596 1.909 0.00 0.00 +0.104 C BRANCH 15 16 ATOM 16 C LIG 1 8.681 -1.209 1.412 0.00 0.00 +0.018 C BRANCH 16 18 ATOM 17 C LIG 1 9.556 0.881 0.229 0.00 0.00 +0.004 C ATOM 18 C LIG 1 9.241 -0.603 0.121 0.00 0.00 -0.002 C ENDBRANCH 16 18 ENDBRANCH 15 16 ENDBRANCH 11 15 ENDBRANCH 5 13 ENDBRANCH 1 7 BRANCH 3 19 ATOM 19 C LIG 1 -1.714 1.588 -0.116 0.00 0.00 +0.096 C BRANCH 19 20 ATOM 20 C LIG 1 -2.965 1.774 -0.975 0.00 0.00 +0.009 C BRANCH 20 21 ATOM 21 C LIG 1 -4.017 2.679 -0.332 0.00 0.00 +0.002 C BRANCH 21 22 ATOM 22 C LIG 1 -4.581 2.202 1.012 0.00 0.00 +0.019 C BRANCH 22 23 ATOM 23 C LIG 1 -5.173 0.788 1.022 0.00 0.00 +0.103 C BRANCH 23 24 ATOM 24 N LIG 1 -6.305 0.700 0.107 0.00 0.00 -0.327 N ATOM 25 H LIG 1 -6.082 0.966 -0.844 0.00 0.00 +0.148 HD BRANCH 24 26 ATOM 26 C LIG 1 -6.982 -0.522 0.133 0.00 0.00 +0.148 A ATOM 27 C LIG 1 -7.903 -0.871 -0.840 0.00 0.00 +0.125 A ATOM 28 C LIG 1 -8.554 -2.090 -0.800 0.00 0.00 +0.183 A ATOM 29 N LIG 1 -9.415 -2.226 -1.856 0.00 0.00 -0.216 NA ATOM 30 C LIG 1 -9.312 -1.100 -2.525 0.00 0.00 +0.199 A ATOM 31 N LIG 1 -8.352 -3.005 0.163 0.00 0.00 -0.214 NA ATOM 32 C LIG 1 -7.466 -2.594 1.077 0.00 0.00 +0.225 A ATOM 33 N LIG 1 -8.413 -0.248 -1.946 0.00 0.00 -0.340 N ATOM 34 H LIG 1 -8.187 0.685 -2.259 0.00 0.00 +0.167 HD ATOM 35 N LIG 1 -6.786 -1.428 1.115 0.00 0.00 -0.219 NA ENDBRANCH 24 26 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 3 19 TORSDOF 12