REMARK Name = BDB002335 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.014 1.721 -0.804 0.00 0.00 +0.237 C ATOM 2 N LIG 1 0.449 0.597 -1.355 0.00 0.00 -0.288 N ATOM 3 C LIG 1 -1.005 0.451 -1.355 0.00 0.00 +0.162 C ATOM 4 C LIG 1 -1.284 -0.788 -2.214 0.00 0.00 +0.033 C ATOM 5 C LIG 1 -0.001 -0.985 -3.009 0.00 0.00 +0.021 C ATOM 6 C LIG 1 1.080 -0.505 -2.053 0.00 0.00 +0.109 C ATOM 7 O LIG 1 0.304 2.701 -0.541 0.00 0.00 -0.274 OA ENDROOT BRANCH 3 8 ATOM 8 C LIG 1 -1.528 0.205 0.077 0.00 0.00 +0.234 C ATOM 9 N LIG 1 -2.894 0.363 0.195 0.00 0.00 -0.303 N ATOM 10 H LIG 1 -3.446 0.485 -0.640 0.00 0.00 +0.150 HD ATOM 11 O LIG 1 -0.807 -0.155 1.007 0.00 0.00 -0.274 OA BRANCH 9 12 ATOM 12 C LIG 1 -3.607 -0.071 1.386 0.00 0.00 +0.134 C BRANCH 12 13 ATOM 13 C LIG 1 -4.759 0.873 1.745 0.00 0.00 -0.023 A ATOM 14 C LIG 1 -5.779 0.455 2.623 0.00 0.00 +0.006 A ATOM 15 C LIG 1 -6.816 1.317 2.990 0.00 0.00 +0.000 A ATOM 16 C LIG 1 -6.843 2.622 2.505 0.00 0.00 +0.000 A ATOM 17 C LIG 1 -5.828 3.068 1.663 0.00 0.00 +0.000 A ATOM 18 C LIG 1 -4.790 2.206 1.296 0.00 0.00 +0.006 A ENDBRANCH 12 13 BRANCH 12 19 ATOM 19 C LIG 1 -4.018 -1.526 1.156 0.00 0.00 -0.023 A ATOM 20 C LIG 1 -5.064 -1.867 0.278 0.00 0.00 +0.006 A ATOM 21 C LIG 1 -5.397 -3.204 0.053 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -4.683 -4.218 0.689 0.00 0.00 +0.000 A ATOM 23 C LIG 1 -3.635 -3.897 1.551 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -3.301 -2.561 1.780 0.00 0.00 +0.006 A ENDBRANCH 12 19 ENDBRANCH 9 12 ENDBRANCH 3 8 BRANCH 1 25 ATOM 25 C LIG 1 2.530 1.790 -0.498 0.00 0.00 +0.159 C BRANCH 25 27 ATOM 26 C LIG 1 3.627 -0.465 -0.053 0.00 0.00 +0.230 C ATOM 27 N LIG 1 2.964 0.671 0.345 0.00 0.00 -0.303 N ATOM 28 H LIG 1 2.474 0.615 1.232 0.00 0.00 +0.149 HD ATOM 29 O LIG 1 4.020 -0.667 -1.202 0.00 0.00 -0.274 OA BRANCH 26 30 ATOM 30 C LIG 1 3.801 -1.525 1.067 0.00 0.00 +0.137 C ATOM 31 C LIG 1 4.594 -0.963 2.244 0.00 0.00 +0.034 C BRANCH 30 33 ATOM 32 C LIG 1 3.796 -3.934 0.712 0.00 0.00 +0.101 C ATOM 33 N LIG 1 4.537 -2.692 0.524 0.00 0.00 -0.309 NA ATOM 34 H LIG 1 4.668 -2.528 -0.483 0.00 0.00 +0.122 HD ENDBRANCH 30 33 ENDBRANCH 26 30 ENDBRANCH 25 27 BRANCH 25 35 ATOM 35 C LIG 1 3.381 2.155 -1.722 0.00 0.00 +0.034 C BRANCH 35 36 ATOM 36 C LIG 1 4.842 2.544 -1.409 0.00 0.00 -0.015 C ATOM 37 C LIG 1 4.944 3.813 -0.562 0.00 0.00 +0.007 C ATOM 38 C LIG 1 5.615 2.739 -2.717 0.00 0.00 +0.007 C ENDBRANCH 35 36 ENDBRANCH 25 35 ENDBRANCH 1 25 TORSDOF 10