REMARK Name = BDB024250 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.300 0.630 0.345 0.00 0.00 -0.269 N ATOM 2 H LIG 1 0.588 1.544 0.664 0.00 0.00 +0.156 HD ATOM 3 C LIG 1 1.297 -0.249 -0.069 0.00 0.00 +0.240 C ATOM 4 O LIG 1 1.107 -1.330 -0.622 0.00 0.00 -0.273 OA ENDROOT BRANCH 1 8 ATOM 5 C LIG 1 -3.861 0.079 0.076 0.00 0.00 +0.048 A ATOM 6 C LIG 1 -2.916 -0.901 -0.237 0.00 0.00 +0.136 A ATOM 7 N LIG 1 -1.566 -0.764 -0.164 0.00 0.00 -0.238 NA ATOM 8 C LIG 1 -1.078 0.414 0.237 0.00 0.00 +0.125 A ATOM 9 C LIG 1 -1.918 1.462 0.588 0.00 0.00 +0.045 A ATOM 10 C LIG 1 -3.304 1.287 0.505 0.00 0.00 +0.028 A BRANCH 5 16 ATOM 11 C LIG 1 -10.168 -1.683 0.292 0.00 0.00 +0.109 C ATOM 12 C LIG 1 -9.498 -0.523 -0.399 0.00 0.00 +0.213 C ATOM 13 N LIG 1 -8.115 -0.487 -0.365 0.00 0.00 -0.299 N ATOM 14 C LIG 1 -7.274 -1.513 0.256 0.00 0.00 +0.126 C ATOM 15 C LIG 1 -5.801 -1.458 -0.197 0.00 0.00 +0.124 C ATOM 16 N LIG 1 -5.232 -0.114 -0.002 0.00 0.00 -0.326 N ATOM 17 C LIG 1 -6.135 1.036 -0.213 0.00 0.00 +0.124 C ATOM 18 C LIG 1 -7.413 0.643 -0.977 0.00 0.00 +0.126 C ATOM 19 O LIG 1 -10.171 0.338 -0.966 0.00 0.00 -0.276 OA ENDBRANCH 5 16 ENDBRANCH 1 8 BRANCH 3 20 ATOM 20 C LIG 1 2.729 0.271 0.307 0.00 0.00 +0.171 C BRANCH 20 21 ATOM 21 C LIG 1 2.949 1.707 -0.169 0.00 0.00 -0.022 A ATOM 22 C LIG 1 2.803 2.045 -1.524 0.00 0.00 +0.005 A ATOM 23 C LIG 1 2.994 3.359 -1.951 0.00 0.00 +0.000 A ATOM 24 C LIG 1 3.341 4.347 -1.032 0.00 0.00 +0.000 A ATOM 25 C LIG 1 3.504 4.022 0.313 0.00 0.00 +0.000 A ATOM 26 C LIG 1 3.312 2.709 0.745 0.00 0.00 +0.005 A ENDBRANCH 20 21 BRANCH 20 27 ATOM 27 N LIG 1 3.816 -0.578 -0.230 0.00 0.00 -0.302 NA ATOM 28 H LIG 1 4.695 -0.068 -0.142 0.00 0.00 +0.123 HD BRANCH 27 29 ATOM 29 C LIG 1 3.944 -1.850 0.493 0.00 0.00 +0.086 C BRANCH 29 30 ATOM 30 C LIG 1 5.088 -2.708 -0.075 0.00 0.00 +0.050 C BRANCH 30 31 ATOM 31 C LIG 1 6.461 -2.118 0.162 0.00 0.00 -0.046 A ATOM 32 C LIG 1 7.111 -1.406 -0.855 0.00 0.00 +0.005 A ATOM 33 C LIG 1 8.370 -0.844 -0.633 0.00 0.00 +0.019 A ATOM 34 C LIG 1 8.993 -0.989 0.610 0.00 0.00 +0.052 A ATOM 35 C LIG 1 8.350 -1.697 1.629 0.00 0.00 +0.019 A ATOM 36 C LIG 1 7.090 -2.258 1.407 0.00 0.00 +0.005 A BRANCH 34 37 ATOM 37 C LIG 1 10.285 -0.410 0.840 0.00 0.00 +0.099 C ATOM 38 N LIG 1 11.328 0.060 1.031 0.00 0.00 -0.191 NA ENDBRANCH 34 37 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 27 29 ENDBRANCH 20 27 ENDBRANCH 3 20 TORSDOF 9