REMARK Name = BDB012266 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.754 -1.669 -0.350 0.00 0.00 +0.077 C ATOM 2 C LIG 1 -0.001 -2.723 0.486 0.00 0.00 +0.015 C ATOM 3 C LIG 1 0.780 -2.140 1.670 0.00 0.00 +0.023 C ATOM 4 C LIG 1 -0.008 -1.037 2.377 0.00 0.00 +0.073 C ATOM 5 C LIG 1 -0.363 0.128 1.440 0.00 0.00 +0.023 C ATOM 6 C LIG 1 -0.278 -0.241 -0.046 0.00 0.00 +0.015 C ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 -4.274 -1.722 -0.758 0.00 0.00 +0.227 A ATOM 8 O LIG 1 -3.010 -1.603 -1.283 0.00 0.00 -0.423 OA ATOM 9 C LIG 1 -2.232 -1.775 -0.171 0.00 0.00 +0.220 A ATOM 10 N LIG 1 -2.937 -1.984 0.920 0.00 0.00 -0.112 NA ATOM 11 N LIG 1 -4.261 -1.954 0.540 0.00 0.00 -0.111 NA BRANCH 7 13 ATOM 12 C LIG 1 -5.335 -2.679 -2.768 0.00 0.00 +0.026 C ATOM 13 C LIG 1 -5.443 -1.562 -1.702 0.00 0.00 +0.068 C ATOM 14 C LIG 1 -6.768 -1.800 -0.939 0.00 0.00 +0.026 C BRANCH 13 15 ATOM 15 C LIG 1 -5.477 -0.136 -2.292 0.00 0.00 -0.033 A ATOM 16 C LIG 1 -5.458 0.979 -1.427 0.00 0.00 +0.004 A ATOM 17 C LIG 1 -5.492 2.285 -1.921 0.00 0.00 +0.000 A ATOM 18 C LIG 1 -5.549 2.508 -3.292 0.00 0.00 +0.000 A ATOM 19 C LIG 1 -5.571 1.426 -4.167 0.00 0.00 +0.000 A ATOM 20 C LIG 1 -5.537 0.118 -3.673 0.00 0.00 +0.004 A ENDBRANCH 13 15 ENDBRANCH 7 13 ENDBRANCH 1 9 BRANCH 4 21 ATOM 21 N LIG 1 0.581 -0.582 3.635 0.00 0.00 -0.312 N ATOM 22 H LIG 1 -0.050 -0.540 4.428 0.00 0.00 +0.149 HD ATOM 23 C LIG 1 1.770 0.018 3.922 0.00 0.00 +0.214 C ATOM 24 O LIG 1 1.934 0.477 5.052 0.00 0.00 -0.276 OA BRANCH 23 25 ATOM 25 C LIG 1 2.848 0.074 2.866 0.00 0.00 +0.103 C BRANCH 25 26 ATOM 26 C LIG 1 4.021 0.946 3.305 0.00 0.00 +0.083 C BRANCH 26 27 ATOM 27 C LIG 1 4.928 1.193 2.128 0.00 0.00 +0.111 A ATOM 28 N LIG 1 4.692 2.341 1.420 0.00 0.00 -0.310 N ATOM 29 H LIG 1 3.981 2.997 1.710 0.00 0.00 +0.170 HD ATOM 30 C LIG 1 5.410 2.698 0.307 0.00 0.00 +0.259 A ATOM 31 O LIG 1 5.181 3.731 -0.310 0.00 0.00 -0.267 OA ATOM 32 C LIG 1 6.468 1.756 -0.096 0.00 0.00 +0.065 A ATOM 33 C LIG 1 6.633 0.606 0.681 0.00 0.00 +0.078 A ATOM 34 C LIG 1 7.630 -0.303 0.322 0.00 0.00 +0.028 A ATOM 35 C LIG 1 8.442 -0.065 -0.791 0.00 0.00 +0.002 A ATOM 36 C LIG 1 8.264 1.088 -1.558 0.00 0.00 +0.001 A ATOM 37 C LIG 1 7.273 2.006 -1.212 0.00 0.00 +0.015 A ATOM 38 N LIG 1 5.835 0.331 1.805 0.00 0.00 -0.234 NA ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 23 25 ENDBRANCH 4 21 TORSDOF 7