REMARK Name = BDB039386 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.206 0.263 0.255 0.00 0.00 +0.072 A ATOM 2 N LIG 1 -0.347 1.593 0.127 0.00 0.00 -0.245 NA ATOM 3 C LIG 1 -1.537 2.110 0.507 0.00 0.00 +0.090 A ATOM 4 C LIG 1 -1.909 3.469 0.478 0.00 0.00 +0.047 A ATOM 5 C LIG 1 -3.191 3.547 0.957 0.00 0.00 +0.088 A ATOM 6 N LIG 1 -3.628 2.268 1.236 0.00 0.00 -0.345 N ATOM 7 C LIG 1 -2.603 1.358 1.022 0.00 0.00 +0.072 A ATOM 8 C LIG 1 -2.448 -0.034 1.209 0.00 0.00 -0.006 A ATOM 9 C LIG 1 -1.202 -0.552 0.790 0.00 0.00 +0.035 A ENDROOT BRANCH 1 16 ATOM 10 N LIG 1 5.686 -0.434 -0.999 0.00 0.00 -0.282 N ATOM 11 C LIG 1 4.959 -1.560 -1.355 0.00 0.00 +0.248 C ATOM 12 O LIG 1 5.370 -2.594 -1.847 0.00 0.00 -0.270 OA ATOM 13 C LIG 1 3.558 -1.282 -1.024 0.00 0.00 +0.042 A ATOM 14 C LIG 1 3.496 -0.033 -0.416 0.00 0.00 -0.017 A ATOM 15 C LIG 1 2.279 0.479 0.003 0.00 0.00 +0.016 A ATOM 16 C LIG 1 1.099 -0.275 -0.190 0.00 0.00 +0.001 A ATOM 17 C LIG 1 1.207 -1.542 -0.824 0.00 0.00 +0.011 A ATOM 18 C LIG 1 2.439 -2.058 -1.243 0.00 0.00 +0.014 A ATOM 19 C LIG 1 4.863 0.555 -0.312 0.00 0.00 +0.144 C BRANCH 10 26 ATOM 20 O LIG 1 10.857 0.782 0.353 0.00 0.00 -0.275 OA ATOM 21 C LIG 1 9.790 0.364 -0.087 0.00 0.00 +0.219 C ATOM 22 N LIG 1 9.027 -0.521 0.629 0.00 0.00 -0.255 N ATOM 23 H LIG 1 9.371 -0.720 1.560 0.00 0.00 +0.158 HD ATOM 24 C LIG 1 7.682 -0.757 0.450 0.00 0.00 +0.240 C ATOM 25 O LIG 1 7.001 -1.189 1.377 0.00 0.00 -0.273 OA ATOM 26 C LIG 1 7.143 -0.437 -0.955 0.00 0.00 +0.163 C ATOM 27 C LIG 1 7.743 0.883 -1.428 0.00 0.00 +0.041 C ATOM 28 C LIG 1 9.260 0.772 -1.442 0.00 0.00 +0.098 C ENDBRANCH 10 26 ENDBRANCH 1 16 BRANCH 6 29 ATOM 29 C LIG 1 -4.988 2.019 1.686 0.00 0.00 +0.124 C BRANCH 29 30 ATOM 30 C LIG 1 -6.064 2.376 0.660 0.00 0.00 +0.049 C BRANCH 30 31 ATOM 31 C LIG 1 -5.993 1.546 -0.614 0.00 0.00 +0.157 C BRANCH 31 32 ATOM 32 O LIG 1 -7.022 1.966 -1.506 0.00 0.00 -0.395 OA ATOM 33 H LIG 1 -7.874 1.730 -1.101 0.00 0.00 +0.209 HD ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 6 29 BRANCH 8 34 ATOM 34 C LIG 1 -3.445 -0.998 1.816 0.00 0.00 +0.121 C BRANCH 34 35 ATOM 35 N LIG 1 -4.562 -1.314 0.924 0.00 0.00 -0.298 NA ATOM 36 C LIG 1 -5.545 -2.184 1.573 0.00 0.00 +0.085 C ATOM 37 C LIG 1 -6.401 -2.653 0.409 0.00 0.00 +0.017 C ATOM 38 C LIG 1 -5.472 -2.621 -0.799 0.00 0.00 +0.017 C ATOM 39 C LIG 1 -4.161 -2.043 -0.283 0.00 0.00 +0.085 C ENDBRANCH 34 35 ENDBRANCH 8 34 TORSDOF 8