REMARK Name = BDB024747 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.406 -1.587 0.037 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.722 -0.537 -0.602 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.469 0.652 -1.081 0.00 0.00 +0.082 C ATOM 4 C LIG 1 6.358 0.304 -2.289 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.594 1.848 -1.491 0.00 0.00 +0.027 C ATOM 6 C LIG 1 3.423 2.002 -0.548 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.618 0.738 -0.622 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.207 0.756 -0.631 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.359 1.830 -0.611 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.869 1.347 -0.636 0.00 0.00 +0.115 A ATOM 11 N LIG 1 -0.844 -0.038 -0.654 0.00 0.00 -0.323 N ATOM 12 C LIG 1 0.487 -0.429 -0.665 0.00 0.00 +0.070 A ATOM 13 C LIG 1 1.121 -1.674 -0.702 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.522 -1.685 -0.686 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.283 -0.508 -0.639 0.00 0.00 +0.045 A ATOM 16 O LIG 1 4.902 -2.597 0.516 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.955 -0.986 -0.673 0.00 0.00 +0.106 C ATOM 18 C LIG 1 -3.051 -0.733 0.368 0.00 0.00 +0.133 C ATOM 19 N LIG 1 -4.014 -1.839 0.421 0.00 0.00 -0.297 N ATOM 20 C LIG 1 -4.189 -2.647 -0.794 0.00 0.00 +0.108 C ATOM 21 C LIG 1 -3.954 -1.789 -2.040 0.00 0.00 +0.021 C ATOM 22 C LIG 1 -2.550 -1.172 -2.078 0.00 0.00 +0.028 C BRANCH 19 23 ATOM 23 C LIG 1 -5.029 -1.833 1.335 0.00 0.00 +0.235 A ATOM 24 N LIG 1 -5.111 -0.943 2.379 0.00 0.00 -0.227 N ATOM 25 H LIG 1 -4.489 -0.190 2.637 0.00 0.00 +0.194 HD ATOM 26 N LIG 1 -6.220 -1.163 3.098 0.00 0.00 -0.045 NA ATOM 27 N LIG 1 -6.808 -2.193 2.508 0.00 0.00 -0.022 NA ATOM 28 N LIG 1 -6.084 -2.617 1.420 0.00 0.00 -0.092 NA ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 30 ATOM 29 C LIG 1 7.491 -2.377 0.790 0.00 0.00 +0.282 C ATOM 30 O LIG 1 6.751 -1.353 0.123 0.00 0.00 -0.453 OA ENDBRANCH 1 30 BRANCH 10 31 ATOM 31 C LIG 1 -2.083 2.233 -0.650 0.00 0.00 +0.109 C BRANCH 31 32 ATOM 32 C LIG 1 -2.710 2.490 0.710 0.00 0.00 -0.040 A ATOM 33 C LIG 1 -4.092 2.735 0.795 0.00 0.00 +0.004 A ATOM 34 C LIG 1 -4.705 2.948 2.031 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -3.943 2.942 3.197 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -2.567 2.740 3.125 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -1.952 2.525 1.890 0.00 0.00 +0.004 A ENDBRANCH 31 32 ENDBRANCH 10 31 TORSDOF 5