REMARK Name = BDB054470 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.128 -4.564 0.881 0.00 0.00 +0.149 C ATOM 2 N LIG 1 1.524 -3.346 0.390 0.00 0.00 -0.344 N ATOM 3 C LIG 1 2.209 -2.304 -0.199 0.00 0.00 +0.106 A ATOM 4 C LIG 1 1.256 -1.378 -0.594 0.00 0.00 +0.055 A ATOM 5 C LIG 1 -0.010 -1.839 -0.163 0.00 0.00 +0.052 A ATOM 6 C LIG 1 0.186 -3.056 0.444 0.00 0.00 +0.109 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 3.637 -2.295 -0.418 0.00 0.00 +0.263 C ATOM 8 N LIG 1 4.408 -1.550 0.461 0.00 0.00 -0.292 N ATOM 9 C LIG 1 3.972 -0.841 1.672 0.00 0.00 +0.090 C ATOM 10 C LIG 1 5.242 -0.779 2.538 0.00 0.00 +0.025 C ATOM 11 C LIG 1 6.381 -0.793 1.526 0.00 0.00 +0.021 C ATOM 12 C LIG 1 5.854 -1.706 0.433 0.00 0.00 +0.108 C ATOM 13 O LIG 1 4.149 -2.973 -1.306 0.00 0.00 -0.268 OA BRANCH 9 14 ATOM 14 C LIG 1 3.344 0.567 1.450 0.00 0.00 +0.106 C BRANCH 14 15 ATOM 15 N LIG 1 4.194 1.586 0.813 0.00 0.00 -0.301 NA ATOM 16 C LIG 1 3.651 2.936 1.002 0.00 0.00 +0.084 C ATOM 17 C LIG 1 4.438 3.766 0.001 0.00 0.00 +0.017 C ATOM 18 C LIG 1 4.821 2.790 -1.103 0.00 0.00 +0.017 C ATOM 19 C LIG 1 4.290 1.438 -0.643 0.00 0.00 +0.084 C ENDBRANCH 14 15 ENDBRANCH 9 14 ENDBRANCH 3 7 BRANCH 5 20 ATOM 20 N LIG 1 -1.163 -1.170 -0.354 0.00 0.00 -0.282 N ATOM 21 H LIG 1 -1.169 -0.284 -0.846 0.00 0.00 +0.155 HD BRANCH 20 22 ATOM 22 C LIG 1 -2.488 -1.453 -0.001 0.00 0.00 +0.221 A ATOM 23 N LIG 1 -3.372 -0.516 -0.396 0.00 0.00 -0.195 NA ATOM 24 C LIG 1 -4.640 -0.804 -0.055 0.00 0.00 +0.164 A ATOM 25 C LIG 1 -5.071 -1.921 0.633 0.00 0.00 +0.057 A ATOM 26 C LIG 1 -6.463 -1.761 0.745 0.00 0.00 +0.146 A ATOM 27 N LIG 1 -6.899 -0.633 0.175 0.00 0.00 -0.177 NA ATOM 28 C LIG 1 -4.096 -2.828 1.006 0.00 0.00 +0.127 A ATOM 29 N LIG 1 -5.766 -0.064 -0.311 0.00 0.00 -0.243 N ATOM 30 N LIG 1 -2.806 -2.577 0.680 0.00 0.00 -0.222 NA BRANCH 29 31 ATOM 31 C LIG 1 -5.816 1.199 -1.013 0.00 0.00 +0.110 C ATOM 32 C LIG 1 -6.723 1.199 -2.263 0.00 0.00 +0.030 C ATOM 33 C LIG 1 -7.153 2.632 -2.431 0.00 0.00 -0.006 C ATOM 34 C LIG 1 -6.914 3.351 -1.143 0.00 0.00 -0.006 C ATOM 35 C LIG 1 -6.175 3.780 -2.387 0.00 0.00 +0.007 C ATOM 36 C LIG 1 -6.329 2.376 -0.156 0.00 0.00 +0.030 C ENDBRANCH 29 31 ENDBRANCH 20 22 ENDBRANCH 5 20 TORSDOF 6