REMARK Name = BDB007799 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.512 2.572 -1.727 0.00 0.00 +0.244 C ATOM 2 N LIG 1 2.647 2.404 -0.966 0.00 0.00 -0.309 N ATOM 3 H LIG 1 2.594 1.903 -0.090 0.00 0.00 +0.149 HD ATOM 4 O LIG 1 1.502 3.027 -2.865 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 8 ATOM 5 C LIG 1 -2.224 1.323 0.000 0.00 0.00 +0.121 A ATOM 6 C LIG 1 -2.027 1.292 -1.379 0.00 0.00 +0.046 A ATOM 7 C LIG 1 -0.806 1.707 -1.924 0.00 0.00 +0.016 A ATOM 8 C LIG 1 0.232 2.146 -1.094 0.00 0.00 +0.037 A ATOM 9 C LIG 1 0.031 2.192 0.288 0.00 0.00 +0.016 A ATOM 10 C LIG 1 -1.191 1.777 0.826 0.00 0.00 +0.046 A BRANCH 5 11 ATOM 11 O LIG 1 -3.354 0.951 0.671 0.00 0.00 -0.489 OA BRANCH 11 15 ATOM 12 N LIG 1 -6.254 -1.696 0.953 0.00 0.00 -0.300 NA ATOM 13 C LIG 1 -6.033 -0.459 1.704 0.00 0.00 +0.088 C ATOM 14 C LIG 1 -5.734 0.743 0.811 0.00 0.00 +0.060 C ATOM 15 C LIG 1 -4.497 0.495 -0.068 0.00 0.00 +0.176 C ATOM 16 C LIG 1 -4.335 -0.991 -0.417 0.00 0.00 +0.060 C ATOM 17 C LIG 1 -5.676 -1.717 -0.391 0.00 0.00 +0.088 C BRANCH 12 18 ATOM 18 C LIG 1 -7.629 -2.209 1.010 0.00 0.00 +0.112 C BRANCH 18 19 ATOM 19 C LIG 1 -8.728 -1.331 0.390 0.00 0.00 +0.174 C BRANCH 19 21 ATOM 20 C LIG 1 -11.054 -1.221 0.005 0.00 0.00 +0.194 C ATOM 21 O LIG 1 -9.989 -1.988 0.552 0.00 0.00 -0.382 OA ENDBRANCH 19 21 ENDBRANCH 18 19 ENDBRANCH 12 18 ENDBRANCH 11 15 ENDBRANCH 5 11 ENDBRANCH 1 8 BRANCH 2 22 ATOM 22 C LIG 1 3.982 2.619 -1.502 0.00 0.00 +0.137 C BRANCH 22 23 ATOM 23 C LIG 1 4.711 1.319 -1.901 0.00 0.00 +0.145 C BRANCH 23 24 ATOM 24 O LIG 1 4.096 0.753 -3.066 0.00 0.00 -0.389 OA ATOM 25 H LIG 1 4.655 0.020 -3.372 0.00 0.00 +0.210 HD ENDBRANCH 23 24 BRANCH 23 26 ATOM 26 C LIG 1 4.742 0.248 -0.784 0.00 0.00 +0.117 C BRANCH 26 27 ATOM 27 N LIG 1 5.229 0.710 0.528 0.00 0.00 -0.295 NA ATOM 28 C LIG 1 6.673 1.017 0.535 0.00 0.00 +0.120 C ATOM 29 C LIG 1 7.582 -0.193 0.541 0.00 0.00 -0.030 A ATOM 30 C LIG 1 7.128 -1.434 1.023 0.00 0.00 -0.042 A ATOM 31 C LIG 1 8.001 -2.530 1.054 0.00 0.00 +0.004 A ATOM 32 C LIG 1 9.322 -2.390 0.630 0.00 0.00 +0.000 A ATOM 33 C LIG 1 9.780 -1.158 0.169 0.00 0.00 +0.000 A ATOM 34 C LIG 1 5.690 -1.606 1.445 0.00 0.00 +0.051 C ATOM 35 C LIG 1 8.916 -0.063 0.128 0.00 0.00 +0.005 A ATOM 36 C LIG 1 4.949 -0.269 1.595 0.00 0.00 +0.089 C ENDBRANCH 26 27 ENDBRANCH 23 26 ENDBRANCH 22 23 ENDBRANCH 2 22 TORSDOF 11