REMARK Name = BDB007801 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.387 0.799 -1.197 0.00 0.00 +0.037 A ATOM 2 C LIG 1 0.007 1.649 -2.235 0.00 0.00 +0.016 A ATOM 3 C LIG 1 1.357 1.975 -2.391 0.00 0.00 +0.046 A ATOM 4 C LIG 1 2.328 1.454 -1.528 0.00 0.00 +0.121 A ATOM 5 C LIG 1 1.935 0.593 -0.505 0.00 0.00 +0.046 A ATOM 6 C LIG 1 0.584 0.263 -0.343 0.00 0.00 +0.016 A ENDROOT BRANCH 1 8 ATOM 7 O LIG 1 -2.075 -0.678 -0.500 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 -1.809 0.416 -0.983 0.00 0.00 +0.244 C ATOM 9 N LIG 1 -2.749 1.362 -1.341 0.00 0.00 -0.309 N ATOM 10 H LIG 1 -2.436 2.294 -1.568 0.00 0.00 +0.149 HD BRANCH 9 11 ATOM 11 C LIG 1 -4.165 1.184 -1.036 0.00 0.00 +0.137 C BRANCH 11 12 ATOM 12 C LIG 1 -4.592 1.990 0.207 0.00 0.00 +0.145 C BRANCH 12 13 ATOM 13 O LIG 1 -3.945 1.503 1.388 0.00 0.00 -0.389 OA ATOM 14 H LIG 1 -4.234 2.049 2.137 0.00 0.00 +0.210 HD ENDBRANCH 12 13 BRANCH 12 15 ATOM 15 C LIG 1 -6.131 2.033 0.393 0.00 0.00 +0.117 C BRANCH 15 16 ATOM 16 N LIG 1 -6.857 0.751 0.311 0.00 0.00 -0.295 NA ATOM 17 C LIG 1 -6.408 -0.211 1.341 0.00 0.00 +0.120 C ATOM 18 C LIG 1 -7.274 -1.452 1.452 0.00 0.00 -0.030 A ATOM 19 C LIG 1 -8.574 -1.485 0.921 0.00 0.00 -0.042 A ATOM 20 C LIG 1 -9.357 -2.638 1.062 0.00 0.00 +0.004 A ATOM 21 C LIG 1 -8.861 -3.746 1.749 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -7.579 -3.712 2.292 0.00 0.00 +0.000 A ATOM 23 C LIG 1 -9.092 -0.305 0.143 0.00 0.00 +0.051 C ATOM 24 C LIG 1 -6.790 -2.571 2.146 0.00 0.00 +0.005 A ATOM 25 C LIG 1 -8.307 0.977 0.441 0.00 0.00 +0.089 C ENDBRANCH 15 16 ENDBRANCH 12 15 ENDBRANCH 11 12 ENDBRANCH 9 11 ENDBRANCH 1 8 BRANCH 4 26 ATOM 26 O LIG 1 3.601 1.861 -1.806 0.00 0.00 -0.489 OA BRANCH 26 27 ATOM 27 C LIG 1 4.681 1.397 -0.986 0.00 0.00 +0.176 C ATOM 28 C LIG 1 5.141 0.002 -1.434 0.00 0.00 +0.060 C ATOM 29 C LIG 1 6.651 -0.209 -1.288 0.00 0.00 +0.088 C ATOM 30 N LIG 1 7.146 0.518 -0.116 0.00 0.00 -0.298 NA ATOM 31 C LIG 1 7.042 1.974 -0.311 0.00 0.00 +0.088 C ATOM 32 C LIG 1 5.828 2.393 -1.143 0.00 0.00 +0.060 C BRANCH 30 33 ATOM 33 C LIG 1 8.524 0.145 0.242 0.00 0.00 +0.119 C BRANCH 33 34 ATOM 34 C LIG 1 8.638 -1.252 0.809 0.00 0.00 -0.031 A ATOM 35 C LIG 1 7.853 -1.650 1.897 0.00 0.00 +0.024 A ATOM 36 C LIG 1 8.004 -2.935 2.393 0.00 0.00 +0.111 A ATOM 37 N LIG 1 8.877 -3.836 1.893 0.00 0.00 -0.263 NA ATOM 38 C LIG 1 9.629 -3.432 0.847 0.00 0.00 +0.111 A ATOM 39 C LIG 1 9.550 -2.169 0.279 0.00 0.00 +0.024 A ENDBRANCH 33 34 ENDBRANCH 30 33 ENDBRANCH 26 27 ENDBRANCH 4 26 TORSDOF 10