REMARK Name = BDB032309 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.658 -1.300 0.999 0.00 0.00 +0.138 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.285 -0.713 0.831 0.00 0.00 -0.012 A ATOM 3 C LIG 1 -0.359 -0.745 -0.398 0.00 0.00 +0.118 A ATOM 4 N LIG 1 -1.589 -0.228 -0.629 0.00 0.00 -0.240 NA ATOM 5 C LIG 1 -2.241 0.366 0.391 0.00 0.00 +0.121 A ATOM 6 C LIG 1 -1.651 0.459 1.653 0.00 0.00 +0.044 A ATOM 7 C LIG 1 -0.385 -0.083 1.876 0.00 0.00 +0.010 A BRANCH 5 8 ATOM 8 N LIG 1 -3.516 0.925 0.178 0.00 0.00 -0.313 N ATOM 9 C LIG 1 -4.584 0.294 0.978 0.00 0.00 +0.128 C ATOM 10 C LIG 1 -5.312 -0.829 0.238 0.00 0.00 +0.142 C ATOM 11 N LIG 1 -6.314 -0.363 -0.705 0.00 0.00 -0.333 N ATOM 12 C LIG 1 -6.284 0.777 -1.476 0.00 0.00 +0.111 A ATOM 13 N LIG 1 -7.378 0.864 -2.208 0.00 0.00 -0.241 NA ATOM 14 C LIG 1 -8.120 -0.248 -1.917 0.00 0.00 +0.130 A ATOM 15 C LIG 1 -5.181 1.790 -1.474 0.00 0.00 +0.093 C ATOM 16 C LIG 1 -7.479 -1.026 -0.987 0.00 0.00 +0.107 A ATOM 17 C LIG 1 -3.796 1.183 -1.252 0.00 0.00 +0.114 C ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 18 ATOM 18 N LIG 1 2.632 -0.427 0.362 0.00 0.00 -0.339 N ATOM 19 H LIG 1 2.449 0.552 0.573 0.00 0.00 +0.146 HD BRANCH 18 23 ATOM 20 C LIG 1 7.250 0.964 -0.464 0.00 0.00 +0.124 A ATOM 21 C LIG 1 6.347 -0.023 0.009 0.00 0.00 +0.023 A ATOM 22 C LIG 1 4.957 0.251 -0.057 0.00 0.00 +0.008 A ATOM 23 C LIG 1 4.012 -0.704 0.440 0.00 0.00 +0.035 A ATOM 24 C LIG 1 4.488 -1.944 0.895 0.00 0.00 +0.023 A ATOM 25 C LIG 1 5.851 -2.219 0.953 0.00 0.00 +0.003 A ATOM 26 C LIG 1 4.572 1.478 -0.631 0.00 0.00 +0.030 A ATOM 27 C LIG 1 5.535 2.366 -1.070 0.00 0.00 +0.113 A ATOM 28 C LIG 1 6.769 -1.266 0.529 0.00 0.00 +0.012 A ATOM 29 N LIG 1 6.855 2.137 -0.987 0.00 0.00 -0.240 NA BRANCH 20 30 ATOM 30 N LIG 1 8.640 0.765 -0.424 0.00 0.00 -0.343 N ATOM 31 H LIG 1 8.928 0.603 0.535 0.00 0.00 +0.144 HD ATOM 32 H LIG 1 8.875 -0.049 -0.981 0.00 0.00 +0.144 HD ENDBRANCH 20 30 ENDBRANCH 18 23 ENDBRANCH 1 18 TORSDOF 5