REMARK Name = BDB031189 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.396 1.107 -2.040 0.00 0.00 +0.129 A ATOM 2 N LIG 1 -1.848 0.335 -3.084 0.00 0.00 -0.346 N ATOM 3 H LIG 1 -2.778 0.403 -3.486 0.00 0.00 +0.167 HD ATOM 4 C LIG 1 -0.870 -0.561 -3.397 0.00 0.00 +0.117 A ATOM 5 C LIG 1 0.179 -0.297 -2.536 0.00 0.00 +0.143 A ATOM 6 N LIG 1 -0.178 0.742 -1.687 0.00 0.00 -0.226 NA ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 1.437 -1.062 -2.474 0.00 0.00 +0.266 C ATOM 8 N LIG 1 2.534 -0.493 -1.806 0.00 0.00 -0.296 N ATOM 9 C LIG 1 3.712 -1.340 -1.608 0.00 0.00 +0.121 C ATOM 10 C LIG 1 4.469 -0.947 -0.335 0.00 0.00 +0.093 C ATOM 11 C LIG 1 4.794 0.554 -0.335 0.00 0.00 +0.016 C ATOM 12 C LIG 1 3.538 1.388 -0.580 0.00 0.00 +0.020 C ATOM 13 C LIG 1 2.815 0.941 -1.845 0.00 0.00 +0.108 C ATOM 14 O LIG 1 1.499 -2.191 -2.963 0.00 0.00 -0.268 OA BRANCH 10 15 ATOM 15 C LIG 1 5.747 -1.771 -0.192 0.00 0.00 +0.222 C ATOM 16 N LIG 1 6.295 -1.669 1.078 0.00 0.00 -0.285 N ATOM 17 H LIG 1 5.777 -1.123 1.756 0.00 0.00 +0.155 HD ATOM 18 O LIG 1 6.205 -2.415 -1.128 0.00 0.00 -0.275 OA BRANCH 16 19 ATOM 19 C LIG 1 7.480 -2.266 1.556 0.00 0.00 +0.033 A ATOM 20 C LIG 1 8.324 -3.062 0.780 0.00 0.00 +0.023 A ATOM 21 C LIG 1 9.485 -3.614 1.333 0.00 0.00 +0.002 A ATOM 22 C LIG 1 9.812 -3.374 2.666 0.00 0.00 +0.000 A ATOM 23 C LIG 1 8.977 -2.581 3.448 0.00 0.00 +0.002 A ATOM 24 C LIG 1 7.818 -2.030 2.896 0.00 0.00 +0.023 A ENDBRANCH 16 19 ENDBRANCH 10 15 ENDBRANCH 5 7 BRANCH 1 27 ATOM 25 C LIG 1 -4.485 1.157 -1.370 0.00 0.00 +0.227 C ATOM 26 N LIG 1 -3.365 1.598 -0.705 0.00 0.00 -0.288 N ATOM 27 C LIG 1 -2.249 2.190 -1.441 0.00 0.00 +0.144 C ATOM 28 C LIG 1 -1.513 2.998 -0.379 0.00 0.00 +0.063 C ATOM 29 C LIG 1 -1.645 2.138 0.874 0.00 0.00 +0.134 C ATOM 30 C LIG 1 -3.010 1.456 0.707 0.00 0.00 +0.140 C ATOM 31 O LIG 1 -4.501 1.195 -2.611 0.00 0.00 -0.275 OA BRANCH 29 32 ATOM 32 O LIG 1 -1.608 2.951 2.039 0.00 0.00 -0.390 OA ATOM 33 H LIG 1 -0.715 3.333 2.092 0.00 0.00 +0.210 HD ENDBRANCH 29 32 BRANCH 25 34 ATOM 34 C LIG 1 -5.764 0.707 -0.644 0.00 0.00 +0.146 C BRANCH 34 38 ATOM 35 C LIG 1 -5.320 -1.547 2.229 0.00 0.00 +0.255 A ATOM 36 N LIG 1 -4.634 -2.162 1.265 0.00 0.00 -0.040 NA ATOM 37 O LIG 1 -4.771 -1.352 0.150 0.00 0.00 -0.355 OA ATOM 38 C LIG 1 -5.514 -0.250 0.472 0.00 0.00 +0.153 A ATOM 39 C LIG 1 -5.900 -0.347 1.790 0.00 0.00 +0.115 A BRANCH 35 41 ATOM 40 C LIG 1 -4.746 -3.296 3.659 0.00 0.00 +0.279 C ATOM 41 O LIG 1 -5.422 -2.056 3.476 0.00 0.00 -0.478 OA ENDBRANCH 35 41 ENDBRANCH 34 38 BRANCH 34 42 ATOM 42 C LIG 1 -6.741 1.865 -0.313 0.00 0.00 +0.002 C ATOM 43 C LIG 1 -7.291 2.503 -1.598 0.00 0.00 +0.008 C ATOM 44 C LIG 1 -6.178 2.968 0.584 0.00 0.00 +0.008 C ENDBRANCH 34 42 ENDBRANCH 25 34 ENDBRANCH 1 27 TORSDOF 9