REMARK Name = BDB006362 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.197 0.506 0.995 0.00 0.00 +0.037 A ATOM 2 C LIG 1 1.279 1.353 1.633 0.00 0.00 +0.023 A ATOM 3 C LIG 1 -0.101 1.168 1.419 0.00 0.00 +0.001 A ATOM 4 C LIG 1 -1.259 1.836 1.898 0.00 0.00 +0.027 A ATOM 5 C LIG 1 -2.357 1.209 1.359 0.00 0.00 +0.087 A ATOM 6 N LIG 1 -1.912 0.189 0.552 0.00 0.00 -0.342 N ATOM 7 C LIG 1 -0.529 0.132 0.582 0.00 0.00 +0.049 A ATOM 8 C LIG 1 0.381 -0.735 -0.046 0.00 0.00 +0.027 A ATOM 9 C LIG 1 1.748 -0.534 0.177 0.00 0.00 +0.015 A ENDROOT BRANCH 1 12 ATOM 10 N LIG 1 4.491 0.432 0.197 0.00 0.00 -0.305 N ATOM 11 H LIG 1 4.107 0.176 -0.701 0.00 0.00 +0.150 HD ATOM 12 C LIG 1 3.647 0.735 1.241 0.00 0.00 +0.245 C ATOM 13 O LIG 1 4.025 1.192 2.313 0.00 0.00 -0.270 OA BRANCH 10 14 ATOM 14 C LIG 1 5.932 0.607 0.279 0.00 0.00 +0.103 C BRANCH 14 15 ATOM 15 C LIG 1 6.593 -0.584 -0.401 0.00 0.00 -0.027 A ATOM 16 C LIG 1 6.992 -1.682 0.380 0.00 0.00 +0.005 A ATOM 17 C LIG 1 7.574 -2.806 -0.208 0.00 0.00 +0.000 A ATOM 18 C LIG 1 7.758 -2.855 -1.587 0.00 0.00 +0.000 A ATOM 19 C LIG 1 7.353 -1.783 -2.379 0.00 0.00 +0.000 A ATOM 20 C LIG 1 6.769 -0.657 -1.792 0.00 0.00 +0.005 A ENDBRANCH 14 15 BRANCH 14 22 ATOM 21 C LIG 1 5.962 3.157 0.537 0.00 0.00 +0.006 C ATOM 22 C LIG 1 6.376 1.962 -0.312 0.00 0.00 +0.024 C ENDBRANCH 14 22 ENDBRANCH 10 14 ENDBRANCH 1 12 BRANCH 6 23 ATOM 23 C LIG 1 -2.799 -0.724 -0.166 0.00 0.00 +0.157 C BRANCH 23 24 ATOM 24 C LIG 1 -3.415 -0.079 -1.392 0.00 0.00 -0.020 A ATOM 25 C LIG 1 -4.813 0.075 -1.543 0.00 0.00 -0.013 A ATOM 26 C LIG 1 -5.309 0.676 -2.715 0.00 0.00 +0.009 A ATOM 27 C LIG 1 -4.452 1.112 -3.725 0.00 0.00 +0.001 A ATOM 28 C LIG 1 -3.080 0.953 -3.582 0.00 0.00 +0.000 A ATOM 29 C LIG 1 -2.566 0.360 -2.429 0.00 0.00 +0.006 A BRANCH 25 30 ATOM 30 C LIG 1 -5.776 -0.369 -0.527 0.00 0.00 -0.018 A ATOM 31 C LIG 1 -6.231 -1.696 -0.504 0.00 0.00 +0.009 A ATOM 32 C LIG 1 -7.146 -2.120 0.465 0.00 0.00 +0.015 A ATOM 33 C LIG 1 -7.623 -1.219 1.424 0.00 0.00 +0.059 A ATOM 34 C LIG 1 -7.181 0.108 1.405 0.00 0.00 +0.015 A ATOM 35 C LIG 1 -6.266 0.528 0.434 0.00 0.00 +0.009 A BRANCH 33 36 ATOM 36 C LIG 1 -8.591 -1.713 2.432 0.00 0.00 +0.337 C ATOM 37 O LIG 1 -9.020 -2.850 2.511 0.00 0.00 -0.245 OA BRANCH 36 38 ATOM 38 O LIG 1 -8.978 -0.759 3.296 0.00 0.00 -0.477 OA ATOM 39 H LIG 1 -9.603 -1.221 3.893 0.00 0.00 +0.295 HD ENDBRANCH 36 38 ENDBRANCH 33 36 ENDBRANCH 25 30 ENDBRANCH 23 24 ENDBRANCH 6 23 TORSDOF 9