REMARK Name = BDB024391 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.361 0.510 -1.380 0.00 0.00 +0.174 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.939 1.703 -2.178 0.00 0.00 +0.016 A ATOM 3 C LIG 1 -0.654 1.770 -3.530 0.00 0.00 +0.113 A ATOM 4 N LIG 1 -0.303 3.064 -3.786 0.00 0.00 -0.274 N ATOM 5 C LIG 1 0.071 3.630 -5.059 0.00 0.00 +0.172 C ATOM 6 N LIG 1 -0.316 3.845 -2.695 0.00 0.00 -0.180 NA ATOM 7 C LIG 1 -0.727 3.027 -1.723 0.00 0.00 +0.140 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -0.335 0.117 -0.272 0.00 0.00 +0.240 C ATOM 9 N LIG 1 0.986 0.231 -0.644 0.00 0.00 -0.269 N ATOM 10 H LIG 1 1.217 0.626 -1.547 0.00 0.00 +0.156 HD ATOM 11 O LIG 1 -0.729 -0.337 0.806 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 2.128 -0.076 0.092 0.00 0.00 +0.125 A ATOM 13 N LIG 1 3.272 0.163 -0.582 0.00 0.00 -0.240 NA ATOM 14 C LIG 1 4.441 -0.102 0.055 0.00 0.00 +0.121 A ATOM 15 C LIG 1 4.542 -0.603 1.348 0.00 0.00 +0.003 A ATOM 16 C LIG 1 3.341 -0.846 2.014 0.00 0.00 +0.013 A ATOM 17 C LIG 1 2.121 -0.580 1.383 0.00 0.00 +0.044 A BRANCH 15 18 ATOM 18 C LIG 1 5.819 -0.872 1.980 0.00 0.00 +0.021 A ATOM 19 C LIG 1 7.012 -0.250 1.672 0.00 0.00 +0.116 A ATOM 20 N LIG 1 7.952 -0.784 2.507 0.00 0.00 -0.274 N ATOM 21 C LIG 1 9.353 -0.445 2.570 0.00 0.00 +0.172 C ATOM 22 N LIG 1 7.459 -1.715 3.340 0.00 0.00 -0.179 NA ATOM 23 C LIG 1 6.163 -1.764 3.023 0.00 0.00 +0.143 A ENDBRANCH 15 18 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 24 ATOM 24 N LIG 1 -2.652 0.825 -0.743 0.00 0.00 -0.301 NA ATOM 25 H LIG 1 -2.675 0.381 0.179 0.00 0.00 +0.123 HD BRANCH 24 26 ATOM 26 C LIG 1 -3.822 0.423 -1.527 0.00 0.00 +0.089 C BRANCH 26 28 ATOM 27 C LIG 1 -3.503 -2.133 -1.533 0.00 0.00 +0.014 C ATOM 28 C LIG 1 -4.437 -0.965 -1.195 0.00 0.00 +0.030 C BRANCH 28 29 ATOM 29 C LIG 1 -5.000 -1.024 0.222 0.00 0.00 -0.043 A ATOM 30 C LIG 1 -4.250 -1.476 1.318 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -4.800 -1.496 2.603 0.00 0.00 +0.019 A ATOM 32 C LIG 1 -6.111 -1.062 2.814 0.00 0.00 +0.052 A ATOM 33 C LIG 1 -6.867 -0.604 1.734 0.00 0.00 +0.019 A ATOM 34 C LIG 1 -6.315 -0.582 0.450 0.00 0.00 +0.005 A BRANCH 32 35 ATOM 35 C LIG 1 -6.675 -1.085 4.132 0.00 0.00 +0.099 C ATOM 36 N LIG 1 -7.136 -1.106 5.197 0.00 0.00 -0.191 NA ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 9