REMARK Name = BDB051034 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.440 0.264 0.309 0.00 0.00 +0.037 A ATOM 2 C LIG 1 1.270 -0.333 -0.222 0.00 0.00 -0.017 A ATOM 3 C LIG 1 1.097 -0.571 -1.702 0.00 0.00 +0.046 C ATOM 4 C LIG 1 0.237 -0.748 0.665 0.00 0.00 +0.052 A ATOM 5 C LIG 1 0.349 -0.533 2.054 0.00 0.00 +0.034 A ATOM 6 C LIG 1 1.503 0.082 2.516 0.00 0.00 +0.139 A ATOM 7 O LIG 1 1.464 0.216 3.870 0.00 0.00 -0.445 OA ATOM 8 C LIG 1 0.286 -0.324 4.286 0.00 0.00 +0.205 A ATOM 9 C LIG 1 -0.437 -0.797 3.216 0.00 0.00 +0.070 A ATOM 10 C LIG 1 2.548 0.490 1.698 0.00 0.00 +0.070 A ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -0.973 -1.428 0.158 0.00 0.00 +0.245 C ATOM 12 N LIG 1 -2.144 -0.744 0.365 0.00 0.00 -0.307 N ATOM 13 H LIG 1 -2.135 0.039 1.011 0.00 0.00 +0.149 HD ATOM 14 O LIG 1 -0.885 -2.514 -0.394 0.00 0.00 -0.270 OA BRANCH 12 15 ATOM 15 C LIG 1 -3.425 -1.373 0.126 0.00 0.00 +0.149 C BRANCH 15 16 ATOM 16 C LIG 1 -4.505 -0.343 0.048 0.00 0.00 +0.075 A ATOM 17 C LIG 1 -4.701 0.536 1.240 0.00 0.00 +0.257 A ATOM 18 O LIG 1 -3.991 0.440 2.237 0.00 0.00 -0.267 OA ATOM 19 N LIG 1 -5.697 1.479 1.157 0.00 0.00 -0.326 N ATOM 20 H LIG 1 -5.808 2.071 1.973 0.00 0.00 +0.169 HD ATOM 21 C LIG 1 -6.498 1.671 0.057 0.00 0.00 +0.019 A ATOM 22 C LIG 1 -7.508 2.773 0.126 0.00 0.00 +0.063 C ATOM 23 C LIG 1 -6.335 0.875 -1.011 0.00 0.00 +0.067 A ATOM 24 C LIG 1 -5.336 -0.172 -0.996 0.00 0.00 +0.132 A BRANCH 24 25 ATOM 25 O LIG 1 -5.229 -0.908 -2.157 0.00 0.00 -0.495 OA ATOM 26 C LIG 1 -6.212 -1.943 -2.216 0.00 0.00 +0.277 C ENDBRANCH 24 25 ENDBRANCH 15 16 ENDBRANCH 12 15 ENDBRANCH 4 11 BRANCH 8 27 ATOM 27 C LIG 1 0.016 -0.325 5.681 0.00 0.00 +0.138 C ATOM 28 N LIG 1 -0.211 -0.349 6.820 0.00 0.00 -0.188 NA ENDBRANCH 8 27 BRANCH 1 29 ATOM 29 N LIG 1 3.546 0.692 -0.456 0.00 0.00 -0.327 N BRANCH 29 30 ATOM 30 C LIG 1 4.290 -0.315 -1.267 0.00 0.00 +0.078 C ATOM 31 C LIG 1 5.686 0.250 -1.609 0.00 0.00 +0.050 C ATOM 32 C LIG 1 6.667 -0.871 -1.909 0.00 0.00 +0.161 C ATOM 33 O LIG 1 6.880 -1.728 -0.789 0.00 0.00 -0.380 OA ATOM 34 C LIG 1 5.782 -1.813 0.120 0.00 0.00 +0.161 C ATOM 35 C LIG 1 4.441 -1.692 -0.585 0.00 0.00 +0.050 C ENDBRANCH 29 30 BRANCH 29 37 ATOM 36 C LIG 1 4.032 3.106 -0.384 0.00 0.00 +0.024 C ATOM 37 C LIG 1 3.276 1.998 -1.099 0.00 0.00 +0.102 C ENDBRANCH 29 37 ENDBRANCH 1 29 TORSDOF 8