REMARK Name = BDB008744 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.370 1.437 -0.050 0.00 0.00 +0.127 A ATOM 2 N LIG 1 -0.096 1.284 0.356 0.00 0.00 -0.224 NA ATOM 3 C LIG 1 0.338 0.025 0.570 0.00 0.00 +0.116 A ATOM 4 C LIG 1 -0.436 -1.104 0.381 0.00 0.00 +0.047 A ATOM 5 C LIG 1 -1.754 -0.943 -0.053 0.00 0.00 +0.008 A ATOM 6 C LIG 1 -2.227 0.362 -0.247 0.00 0.00 +0.054 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -2.617 -2.104 -0.239 0.00 0.00 +0.100 A ATOM 8 C LIG 1 -3.295 -2.449 -1.402 0.00 0.00 +0.113 A ATOM 9 C LIG 1 -4.107 -3.573 -1.396 0.00 0.00 +0.115 A ATOM 10 C LIG 1 -4.662 -3.652 -2.692 0.00 0.00 +0.086 A ATOM 11 N LIG 1 -4.223 -2.660 -3.477 0.00 0.00 -0.174 NA ATOM 12 C LIG 1 -5.613 -4.664 -3.206 0.00 0.00 +0.070 C ATOM 13 N LIG 1 -4.273 -4.373 -0.322 0.00 0.00 -0.229 NA ATOM 14 C LIG 1 -3.573 -3.993 0.755 0.00 0.00 +0.127 A ATOM 15 C LIG 1 -3.678 -4.860 1.972 0.00 0.00 +0.088 C ATOM 16 N LIG 1 -3.382 -1.962 -2.681 0.00 0.00 -0.263 N ATOM 17 C LIG 1 -2.668 -0.853 -3.271 0.00 0.00 +0.173 C ATOM 18 N LIG 1 -2.755 -2.924 0.834 0.00 0.00 -0.230 NA ENDBRANCH 5 7 BRANCH 1 20 ATOM 19 C LIG 1 -2.893 3.280 -0.767 0.00 0.00 +0.235 C ATOM 20 N LIG 1 -1.723 2.772 -0.248 0.00 0.00 -0.269 N ATOM 21 H LIG 1 -0.972 3.399 0.009 0.00 0.00 +0.156 HD ATOM 22 O LIG 1 -3.846 2.597 -1.141 0.00 0.00 -0.274 OA BRANCH 19 23 ATOM 23 C LIG 1 -2.934 4.835 -0.795 0.00 0.00 +0.137 C ATOM 24 C LIG 1 -1.756 5.443 -1.557 0.00 0.00 +0.034 C BRANCH 23 26 ATOM 25 C LIG 1 -4.430 5.252 -2.721 0.00 0.00 +0.101 C ATOM 26 N LIG 1 -4.253 5.319 -1.274 0.00 0.00 -0.309 NA ATOM 27 H LIG 1 -4.965 4.719 -0.848 0.00 0.00 +0.122 HD ENDBRANCH 23 26 ENDBRANCH 19 23 ENDBRANCH 1 20 BRANCH 3 28 ATOM 28 C LIG 1 1.692 -0.073 1.012 0.00 0.00 -0.041 C ATOM 29 C LIG 1 2.832 -0.155 1.383 0.00 0.00 -0.060 C BRANCH 29 30 ATOM 30 C LIG 1 4.189 -0.252 1.822 0.00 0.00 +0.026 A ATOM 31 C LIG 1 5.169 0.560 1.248 0.00 0.00 +0.025 A ATOM 32 C LIG 1 6.509 0.478 1.667 0.00 0.00 -0.014 A ATOM 33 C LIG 1 6.876 -0.434 2.681 0.00 0.00 +0.003 A ATOM 34 C LIG 1 8.238 -0.468 3.057 0.00 0.00 +0.046 A ATOM 35 N LIG 1 9.186 0.325 2.493 0.00 0.00 -0.260 NA ATOM 36 C LIG 1 8.792 1.180 1.531 0.00 0.00 +0.111 A ATOM 37 C LIG 1 8.739 -1.400 4.124 0.00 0.00 +0.066 C ATOM 38 C LIG 1 5.865 -1.246 3.248 0.00 0.00 +0.011 A ATOM 39 C LIG 1 7.487 1.293 1.090 0.00 0.00 +0.028 A ATOM 40 C LIG 1 4.537 -1.154 2.823 0.00 0.00 +0.017 A ENDBRANCH 29 30 ENDBRANCH 3 28 TORSDOF 6