REMARK Name = BDB048354 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.948 0.972 -0.593 0.00 0.00 -0.318 N ATOM 2 C LIG 1 1.341 2.387 -0.619 0.00 0.00 +0.130 C ENDROOT BRANCH 1 5 ATOM 3 C LIG 1 3.975 -0.376 0.835 0.00 0.00 +0.162 A ATOM 4 N LIG 1 3.157 0.305 0.010 0.00 0.00 -0.212 NA ATOM 5 C LIG 1 1.836 0.275 0.272 0.00 0.00 +0.128 A ATOM 6 C LIG 1 1.313 -0.419 1.355 0.00 0.00 +0.008 A ATOM 7 C LIG 1 -0.146 -0.478 1.664 0.00 0.00 +0.049 C ATOM 8 C LIG 1 2.236 -1.090 2.130 0.00 0.00 +0.120 A ATOM 9 N LIG 1 3.560 -1.085 1.899 0.00 0.00 -0.235 NA BRANCH 3 13 ATOM 10 C LIG 1 8.216 -0.275 -0.009 0.00 0.00 +0.017 A ATOM 11 C LIG 1 7.315 0.406 -0.832 0.00 0.00 +0.012 A ATOM 12 C LIG 1 5.941 0.369 -0.553 0.00 0.00 +0.012 A ATOM 13 C LIG 1 5.425 -0.342 0.548 0.00 0.00 +0.019 A ATOM 14 C LIG 1 6.353 -1.020 1.360 0.00 0.00 +0.012 A ATOM 15 C LIG 1 7.726 -0.988 1.089 0.00 0.00 +0.012 A BRANCH 10 17 ATOM 16 C LIG 1 10.224 0.491 -1.444 0.00 0.00 +0.091 C ATOM 17 C LIG 1 9.688 -0.270 -0.260 0.00 0.00 +0.160 C ATOM 18 O LIG 1 10.442 -0.880 0.496 0.00 0.00 -0.292 OA ENDBRANCH 10 17 ENDBRANCH 3 13 ENDBRANCH 1 5 BRANCH 1 19 ATOM 19 C LIG 1 0.946 0.335 -1.927 0.00 0.00 +0.109 C BRANCH 19 20 ATOM 20 C LIG 1 -0.467 -0.123 -2.285 0.00 0.00 +0.060 C BRANCH 20 21 ATOM 21 C LIG 1 -1.422 1.042 -2.526 0.00 0.00 +0.230 C BRANCH 21 22 ATOM 22 O LIG 1 -2.712 0.563 -2.913 0.00 0.00 -0.492 OA BRANCH 22 23 ATOM 23 C LIG 1 -3.611 0.246 -1.930 0.00 0.00 +0.121 A ATOM 24 C LIG 1 -3.385 0.314 -0.554 0.00 0.00 +0.049 A ATOM 25 C LIG 1 -4.411 -0.050 0.308 0.00 0.00 -0.040 A ATOM 26 C LIG 1 -4.368 -0.092 1.803 0.00 0.00 +0.036 C ATOM 27 C LIG 1 -5.864 -0.126 2.138 0.00 0.00 +0.013 C ATOM 28 C LIG 1 -6.559 -0.868 0.971 0.00 0.00 +0.030 C ATOM 29 C LIG 1 -5.651 -0.488 -0.172 0.00 0.00 -0.040 A ATOM 30 C LIG 1 -5.882 -0.574 -1.534 0.00 0.00 +0.008 A ATOM 31 C LIG 1 -4.857 -0.198 -2.408 0.00 0.00 +0.046 A BRANCH 28 32 ATOM 32 C LIG 1 -8.017 -0.455 0.786 0.00 0.00 +0.128 C BRANCH 32 33 ATOM 33 C LIG 1 -8.878 -0.915 1.929 0.00 0.00 +0.305 C ATOM 34 O LIG 1 -8.574 -1.676 2.831 0.00 0.00 -0.251 OA BRANCH 33 35 ATOM 35 O LIG 1 -10.120 -0.396 1.863 0.00 0.00 -0.481 OA ATOM 36 H LIG 1 -10.582 -0.774 2.641 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 28 32 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 11