REMARK Name = BDB010463 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.079 -0.501 0.268 0.00 0.00 +0.150 A ATOM 2 C LIG 1 -0.766 -0.934 0.406 0.00 0.00 +0.129 A ATOM 3 C LIG 1 -0.418 -1.700 1.503 0.00 0.00 +0.186 A ATOM 4 N LIG 1 0.897 -2.059 1.473 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 1.377 -1.538 0.369 0.00 0.00 +0.201 A ATOM 6 N LIG 1 -1.272 -2.057 2.474 0.00 0.00 -0.193 NA ATOM 7 C LIG 1 -2.510 -1.612 2.288 0.00 0.00 +0.219 A ATOM 8 N LIG 1 0.421 -0.774 -0.273 0.00 0.00 -0.307 N ATOM 9 N LIG 1 -2.920 -0.848 1.265 0.00 0.00 -0.198 NA ENDROOT BRANCH 5 10 ATOM 10 N LIG 1 2.627 -1.712 -0.148 0.00 0.00 -0.289 N ATOM 11 C LIG 1 3.753 -1.387 0.797 0.00 0.00 +0.132 C ATOM 12 C LIG 1 3.972 -2.554 1.805 0.00 0.00 +0.187 C ATOM 13 O LIG 1 4.226 -3.805 1.137 0.00 0.00 -0.376 OA ATOM 14 C LIG 1 3.107 -4.145 0.303 0.00 0.00 +0.179 C ATOM 15 C LIG 1 2.835 -3.060 -0.754 0.00 0.00 +0.136 C BRANCH 11 16 ATOM 16 C LIG 1 4.998 -0.976 -0.011 0.00 0.00 -0.025 A ATOM 17 C LIG 1 4.867 -0.054 -1.067 0.00 0.00 +0.005 A ATOM 18 C LIG 1 5.970 0.367 -1.813 0.00 0.00 +0.000 A ATOM 19 C LIG 1 7.239 -0.116 -1.512 0.00 0.00 +0.000 A ATOM 20 C LIG 1 7.399 -1.026 -0.471 0.00 0.00 +0.000 A ATOM 21 C LIG 1 6.290 -1.452 0.271 0.00 0.00 +0.005 A ENDBRANCH 11 16 ENDBRANCH 5 10 BRANCH 1 22 ATOM 22 N LIG 1 -2.520 0.249 -0.812 0.00 0.00 -0.324 N ATOM 23 H LIG 1 -2.104 -0.067 -1.680 0.00 0.00 +0.148 HD BRANCH 22 25 ATOM 24 C LIG 1 -4.390 1.577 0.146 0.00 0.00 +0.028 C ATOM 25 C LIG 1 -3.924 0.643 -0.971 0.00 0.00 +0.072 C BRANCH 25 26 ATOM 26 C LIG 1 -4.875 -0.542 -1.145 0.00 0.00 +0.009 C ATOM 27 C LIG 1 -6.285 -0.222 -1.721 0.00 0.00 +0.005 C ATOM 28 C LIG 1 -6.196 -1.554 -2.493 0.00 0.00 +0.001 C ATOM 29 C LIG 1 -4.662 -1.414 -2.416 0.00 0.00 +0.005 C ENDBRANCH 25 26 ENDBRANCH 22 25 ENDBRANCH 1 22 BRANCH 7 30 ATOM 30 N LIG 1 -3.502 -1.912 3.209 0.00 0.00 -0.311 N ATOM 31 H LIG 1 -4.295 -1.313 3.005 0.00 0.00 +0.149 HD BRANCH 30 32 ATOM 32 C LIG 1 -3.100 -1.925 4.610 0.00 0.00 +0.132 C BRANCH 32 33 ATOM 33 C LIG 1 -2.669 -0.538 5.113 0.00 0.00 +0.174 C BRANCH 33 34 ATOM 34 O LIG 1 -3.653 0.448 4.791 0.00 0.00 -0.393 OA ATOM 35 H LIG 1 -3.542 0.640 3.842 0.00 0.00 +0.209 HD ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 30 32 ENDBRANCH 7 30 BRANCH 8 36 ATOM 36 C LIG 1 0.657 0.077 -1.424 0.00 0.00 +0.128 C BRANCH 36 37 ATOM 37 C LIG 1 0.567 1.589 -1.129 0.00 0.00 +0.009 C ATOM 38 C LIG 1 0.689 2.389 -2.442 0.00 0.00 +0.005 C ATOM 39 C LIG 1 1.328 3.769 -2.271 0.00 0.00 +0.003 C ATOM 40 C LIG 1 0.994 4.442 -0.936 0.00 0.00 -0.014 C ATOM 41 C LIG 1 -0.475 4.878 -0.879 0.00 0.00 +0.007 C ATOM 42 C LIG 1 1.367 3.549 0.262 0.00 0.00 +0.003 C ATOM 43 C LIG 1 1.592 2.076 -0.099 0.00 0.00 +0.005 C ENDBRANCH 36 37 ENDBRANCH 8 36 TORSDOF 11