REMARK Name = BDB039044 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.043 0.997 0.889 0.00 0.00 +0.403 C ATOM 2 N LIG 1 5.016 0.196 0.421 0.00 0.00 -0.263 N ATOM 3 C LIG 1 3.654 0.685 0.605 0.00 0.00 +0.148 C ATOM 4 C LIG 1 2.599 -0.084 -0.150 0.00 0.00 +0.001 A ATOM 5 C LIG 1 2.916 -1.228 -0.918 0.00 0.00 -0.039 A ATOM 6 C LIG 1 1.919 -1.914 -1.623 0.00 0.00 +0.006 A ATOM 7 C LIG 1 0.580 -1.516 -1.570 0.00 0.00 +0.028 A ATOM 8 C LIG 1 0.269 -0.394 -0.792 0.00 0.00 +0.070 A ATOM 9 N LIG 1 -0.909 0.266 -0.495 0.00 0.00 -0.320 N ATOM 10 C LIG 1 -0.595 1.355 0.306 0.00 0.00 +0.144 A ATOM 11 N LIG 1 0.693 1.361 0.587 0.00 0.00 -0.227 NA ATOM 12 C LIG 1 4.351 -1.677 -1.029 0.00 0.00 +0.054 C ATOM 13 C LIG 1 1.246 0.312 -0.097 0.00 0.00 +0.095 A ATOM 14 C LIG 1 5.177 -1.231 0.175 0.00 0.00 +0.116 C ATOM 15 O LIG 1 5.886 2.138 1.308 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 C LIG 1 -1.537 2.344 0.821 0.00 0.00 +0.036 A ATOM 17 C LIG 1 -2.294 3.154 -0.019 0.00 0.00 +0.122 A ATOM 18 N LIG 1 -3.193 4.072 0.411 0.00 0.00 -0.263 NA ATOM 19 C LIG 1 -3.313 4.218 1.748 0.00 0.00 +0.111 A ATOM 20 C LIG 1 -2.585 3.485 2.671 0.00 0.00 +0.020 A ATOM 21 C LIG 1 -1.681 2.537 2.196 0.00 0.00 +0.014 A ENDBRANCH 10 16 BRANCH 1 23 ATOM 22 C LIG 1 8.341 1.180 1.302 0.00 0.00 +0.282 C ATOM 23 O LIG 1 7.255 0.379 0.835 0.00 0.00 -0.454 OA ENDBRANCH 1 23 BRANCH 9 24 ATOM 24 C LIG 1 -2.262 -0.150 -0.882 0.00 0.00 +0.091 C ATOM 25 C LIG 1 -2.469 -0.056 -2.397 0.00 0.00 +0.031 C BRANCH 24 26 ATOM 26 C LIG 1 -2.621 -1.531 -0.294 0.00 0.00 +0.060 C BRANCH 26 27 ATOM 27 C LIG 1 -4.101 -1.830 -0.338 0.00 0.00 -0.045 A ATOM 28 C LIG 1 -4.620 -2.724 -1.284 0.00 0.00 +0.004 A ATOM 29 C LIG 1 -5.990 -2.986 -1.331 0.00 0.00 +0.000 A ATOM 30 C LIG 1 -6.853 -2.357 -0.435 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -6.347 -1.468 0.510 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -4.978 -1.205 0.560 0.00 0.00 +0.004 A ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 9 24 TORSDOF 5