REMARK Name = BDB026526 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -0.803 2.996 2.249 0.00 0.00 -0.252 OA ATOM 2 C LIG 1 -0.645 1.992 1.576 0.00 0.00 +0.305 C ATOM 3 N LIG 1 -1.641 1.215 0.978 0.00 0.00 -0.281 N ATOM 4 C LIG 1 -1.058 0.142 0.206 0.00 0.00 +0.128 C ATOM 5 C LIG 1 0.352 0.045 0.769 0.00 0.00 +0.128 C ATOM 6 N LIG 1 0.581 1.369 1.306 0.00 0.00 -0.278 N ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -3.032 1.632 0.839 0.00 0.00 +0.142 C BRANCH 7 8 ATOM 8 C LIG 1 -3.322 2.342 -0.498 0.00 0.00 +0.146 C BRANCH 8 9 ATOM 9 O LIG 1 -2.693 3.631 -0.509 0.00 0.00 -0.389 OA ATOM 10 H LIG 1 -2.432 3.830 -1.423 0.00 0.00 +0.210 HD ENDBRANCH 8 9 BRANCH 8 11 ATOM 11 C LIG 1 -4.838 2.550 -0.716 0.00 0.00 +0.117 C BRANCH 11 12 ATOM 12 N LIG 1 -5.644 1.317 -0.775 0.00 0.00 -0.295 NA ATOM 13 C LIG 1 -5.327 0.510 -1.970 0.00 0.00 +0.120 C ATOM 14 C LIG 1 -6.249 -0.675 -2.171 0.00 0.00 -0.030 A ATOM 15 C LIG 1 -7.514 -0.719 -1.559 0.00 0.00 -0.042 A ATOM 16 C LIG 1 -8.359 -1.815 -1.780 0.00 0.00 +0.004 A ATOM 17 C LIG 1 -7.961 -2.854 -2.620 0.00 0.00 +0.000 A ATOM 18 C LIG 1 -6.717 -2.806 -3.245 0.00 0.00 +0.000 A ATOM 19 C LIG 1 -7.929 0.378 -0.612 0.00 0.00 +0.051 C ATOM 20 C LIG 1 -5.865 -1.722 -3.025 0.00 0.00 +0.005 A ATOM 21 C LIG 1 -7.080 1.646 -0.773 0.00 0.00 +0.089 C ENDBRANCH 11 12 ENDBRANCH 8 11 ENDBRANCH 7 8 ENDBRANCH 3 7 BRANCH 6 22 ATOM 22 C LIG 1 1.768 1.724 2.062 0.00 0.00 +0.164 C BRANCH 22 23 ATOM 23 C LIG 1 3.066 1.189 1.494 0.00 0.00 +0.059 A ATOM 24 N LIG 1 3.366 1.474 0.205 0.00 0.00 -0.256 NA ATOM 25 C LIG 1 4.544 1.002 -0.276 0.00 0.00 +0.134 A ATOM 26 C LIG 1 5.464 0.214 0.425 0.00 0.00 +0.046 A ATOM 27 C LIG 1 5.132 -0.024 1.755 0.00 0.00 +0.026 A ATOM 28 C LIG 1 3.932 0.453 2.296 0.00 0.00 +0.027 A BRANCH 26 29 ATOM 29 N LIG 1 6.654 -0.160 -0.181 0.00 0.00 -0.340 N ATOM 30 H LIG 1 6.595 -0.145 -1.198 0.00 0.00 +0.146 HD BRANCH 29 31 ATOM 31 C LIG 1 7.624 -1.148 0.302 0.00 0.00 +0.075 C ATOM 32 C LIG 1 8.437 -0.650 1.499 0.00 0.00 +0.050 C ATOM 33 C LIG 1 8.860 -1.809 2.392 0.00 0.00 +0.161 C ATOM 34 O LIG 1 9.216 -2.929 1.587 0.00 0.00 -0.380 OA ATOM 35 C LIG 1 8.097 -3.529 0.931 0.00 0.00 +0.161 C ATOM 36 C LIG 1 7.016 -2.530 0.522 0.00 0.00 +0.050 C ENDBRANCH 29 31 ENDBRANCH 26 29 ENDBRANCH 22 23 ENDBRANCH 6 22 TORSDOF 9