REMARK Name = BDB039438 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.681 -6.230 0.567 0.00 0.00 +0.150 C ATOM 2 N LIG 1 1.592 -5.177 0.186 0.00 0.00 -0.335 N ATOM 3 C LIG 1 1.199 -3.938 -0.252 0.00 0.00 +0.141 A ATOM 4 C LIG 1 2.346 -3.198 -0.518 0.00 0.00 +0.023 A ATOM 5 C LIG 1 2.188 -1.878 -0.987 0.00 0.00 -0.021 A ATOM 6 C LIG 1 0.860 -1.430 -1.133 0.00 0.00 +0.034 A ATOM 7 C LIG 1 -0.221 -2.264 -0.825 0.00 0.00 +0.074 A ATOM 8 C LIG 1 3.454 -4.041 -0.221 0.00 0.00 +0.029 A ATOM 9 N LIG 1 -0.079 -3.538 -0.389 0.00 0.00 -0.229 NA ATOM 10 C LIG 1 2.960 -5.255 0.209 0.00 0.00 +0.088 A ENDROOT BRANCH 7 11 ATOM 11 C LIG 1 -1.622 -1.809 -0.966 0.00 0.00 +0.001 A ATOM 12 C LIG 1 -2.017 -0.506 -0.590 0.00 0.00 +0.016 A ATOM 13 C LIG 1 -3.342 -0.127 -0.740 0.00 0.00 -0.017 A ATOM 14 C LIG 1 -4.010 1.164 -0.398 0.00 0.00 +0.144 C ATOM 15 N LIG 1 -5.374 0.950 -0.863 0.00 0.00 -0.282 N ATOM 16 C LIG 1 -5.581 -0.355 -1.290 0.00 0.00 +0.248 C ATOM 17 O LIG 1 -6.625 -0.871 -1.638 0.00 0.00 -0.270 OA ATOM 18 C LIG 1 -4.276 -1.024 -1.252 0.00 0.00 +0.042 A ATOM 19 C LIG 1 -3.946 -2.310 -1.623 0.00 0.00 +0.014 A ATOM 20 C LIG 1 -2.610 -2.695 -1.474 0.00 0.00 +0.011 A BRANCH 15 21 ATOM 21 C LIG 1 -6.484 1.837 -0.537 0.00 0.00 +0.163 C ATOM 22 C LIG 1 -6.830 1.817 0.962 0.00 0.00 +0.240 C ATOM 23 O LIG 1 -6.382 1.006 1.769 0.00 0.00 -0.273 OA ATOM 24 N LIG 1 -7.693 2.805 1.377 0.00 0.00 -0.255 N ATOM 25 H LIG 1 -7.900 2.795 2.368 0.00 0.00 +0.158 HD ATOM 26 C LIG 1 -7.856 4.027 0.775 0.00 0.00 +0.219 C ATOM 27 O LIG 1 -8.318 4.981 1.393 0.00 0.00 -0.275 OA ATOM 28 C LIG 1 -7.457 4.121 -0.679 0.00 0.00 +0.098 C ATOM 29 C LIG 1 -6.223 3.278 -0.965 0.00 0.00 +0.041 C ENDBRANCH 15 21 ENDBRANCH 7 11 BRANCH 5 30 ATOM 30 C LIG 1 3.344 -0.969 -1.336 0.00 0.00 +0.120 C BRANCH 30 31 ATOM 31 N LIG 1 4.154 -0.577 -0.167 0.00 0.00 -0.298 NA ATOM 32 C LIG 1 3.411 0.309 0.738 0.00 0.00 +0.087 C ATOM 33 C LIG 1 4.229 0.630 1.988 0.00 0.00 +0.040 C ATOM 34 C LIG 1 5.634 1.157 1.680 0.00 0.00 +0.091 C ATOM 35 C LIG 1 6.322 0.357 0.569 0.00 0.00 +0.040 C ATOM 36 C LIG 1 5.406 0.047 -0.612 0.00 0.00 +0.087 C BRANCH 34 37 ATOM 37 N LIG 1 5.678 2.600 1.470 0.00 0.00 -0.334 N ATOM 38 C LIG 1 6.332 3.481 2.293 0.00 0.00 +0.199 A ATOM 39 N LIG 1 6.212 4.720 1.873 0.00 0.00 -0.244 NA ATOM 40 C LIG 1 5.454 4.641 0.738 0.00 0.00 +0.130 A ATOM 41 C LIG 1 5.109 3.337 0.469 0.00 0.00 +0.107 A ENDBRANCH 34 37 ENDBRANCH 30 31 ENDBRANCH 5 30 TORSDOF 5