REMARK Name = BDB031827 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.787 -1.619 1.778 0.00 0.00 -0.041 A ATOM 2 C LIG 1 1.381 -2.029 0.493 0.00 0.00 +0.031 A ATOM 3 C LIG 1 0.218 -1.474 -0.052 0.00 0.00 +0.068 A ATOM 4 C LIG 1 -0.580 -0.561 0.623 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -1.649 -0.259 -0.280 0.00 0.00 +0.153 A ATOM 6 N LIG 1 -1.487 -0.901 -1.440 0.00 0.00 -0.157 NA ATOM 7 C LIG 1 -0.203 -0.177 1.924 0.00 0.00 +0.014 A ATOM 8 N LIG 1 -0.392 -1.649 -1.262 0.00 0.00 -0.275 N ATOM 9 H LIG 1 -0.099 -2.252 -2.022 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 0.970 -0.714 2.477 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 4.587 0.457 -1.278 0.00 0.00 +0.120 A ATOM 12 C LIG 1 4.113 -0.005 -0.045 0.00 0.00 +0.052 A ATOM 13 C LIG 1 4.689 -1.139 0.516 0.00 0.00 -0.007 A ATOM 14 C LIG 1 4.423 -1.911 1.779 0.00 0.00 +0.081 C ATOM 15 C LIG 1 3.058 -2.162 2.390 0.00 0.00 +0.040 C ATOM 16 C LIG 1 5.451 -3.019 1.754 0.00 0.00 +0.228 C ATOM 17 N LIG 1 6.181 -2.870 0.589 0.00 0.00 -0.284 N ATOM 18 H LIG 1 6.937 -3.488 0.336 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 5.588 -3.873 2.613 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 4.047 -1.228 3.062 0.00 0.00 +0.031 C ATOM 21 C LIG 1 5.749 -1.769 -0.153 0.00 0.00 +0.038 A ATOM 22 C LIG 1 6.256 -1.327 -1.356 0.00 0.00 +0.027 A ATOM 23 C LIG 1 5.658 -0.198 -1.917 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 2.864 2.080 -1.496 0.00 0.00 +0.277 C ATOM 25 O LIG 1 4.097 1.540 -1.960 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 N LIG 1 -2.631 0.623 0.035 0.00 0.00 -0.282 N ATOM 27 H LIG 1 -2.629 0.997 0.973 0.00 0.00 +0.155 HD BRANCH 26 28 ATOM 28 C LIG 1 -3.936 0.681 -0.498 0.00 0.00 +0.131 A ATOM 29 C LIG 1 -4.659 1.842 -0.365 0.00 0.00 +0.014 A ATOM 30 C LIG 1 -4.321 3.137 0.290 0.00 0.00 +0.041 C ATOM 31 C LIG 1 -5.394 4.062 -0.305 0.00 0.00 +0.011 C ATOM 32 C LIG 1 -6.609 3.178 -0.614 0.00 0.00 +0.056 C ATOM 33 C LIG 1 -5.938 1.862 -0.882 0.00 0.00 +0.050 A ATOM 34 N LIG 1 -6.519 0.839 -1.509 0.00 0.00 -0.237 NA ATOM 35 C LIG 1 -5.737 -0.251 -1.629 0.00 0.00 +0.128 A ATOM 36 C LIG 1 -6.317 -1.447 -2.315 0.00 0.00 +0.088 C ATOM 37 N LIG 1 -4.484 -0.370 -1.135 0.00 0.00 -0.217 NA ENDBRANCH 26 28 ENDBRANCH 5 26 TORSDOF 4