REMARK Name = BDB020672 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.972 1.061 0.678 0.00 0.00 +0.001 A ATOM 2 C LIG 1 2.372 0.139 -0.161 0.00 0.00 +0.100 A ATOM 3 N LIG 1 1.055 -0.061 0.220 0.00 0.00 -0.318 N ATOM 4 C LIG 1 0.827 0.774 1.313 0.00 0.00 +0.048 A ATOM 5 C LIG 1 -0.466 0.776 1.895 0.00 0.00 +0.039 A ATOM 6 C LIG 1 -1.435 0.009 1.360 0.00 0.00 +0.043 A ATOM 7 C LIG 1 -1.199 -0.854 0.188 0.00 0.00 -0.017 A ATOM 8 C LIG 1 -2.405 -1.597 -0.332 0.00 0.00 +0.046 C ATOM 9 C LIG 1 0.057 -0.907 -0.348 0.00 0.00 +0.044 A ATOM 10 C LIG 1 1.986 1.454 1.617 0.00 0.00 +0.036 A ENDROOT BRANCH 1 14 ATOM 11 C LIG 1 7.044 2.316 0.355 0.00 0.00 +0.162 A ATOM 12 C LIG 1 6.452 2.145 1.623 0.00 0.00 +0.162 A ATOM 13 C LIG 1 5.115 1.734 1.715 0.00 0.00 +0.058 A ATOM 14 C LIG 1 4.360 1.484 0.561 0.00 0.00 -0.013 A ATOM 15 C LIG 1 4.957 1.659 -0.692 0.00 0.00 +0.012 A ATOM 16 C LIG 1 6.289 2.072 -0.795 0.00 0.00 +0.050 A BRANCH 11 18 ATOM 17 C LIG 1 8.990 2.886 -0.910 0.00 0.00 +0.277 C ATOM 18 O LIG 1 8.355 2.722 0.351 0.00 0.00 -0.491 OA ENDBRANCH 11 18 BRANCH 12 19 ATOM 19 O LIG 1 7.259 2.404 2.703 0.00 0.00 -0.491 OA ATOM 20 C LIG 1 6.719 2.185 3.997 0.00 0.00 +0.277 C ENDBRANCH 12 19 ENDBRANCH 1 14 BRANCH 6 21 ATOM 21 C LIG 1 -2.755 0.045 2.058 0.00 0.00 +0.245 C ATOM 22 N LIG 1 -3.367 1.273 2.009 0.00 0.00 -0.307 N ATOM 23 H LIG 1 -2.954 2.015 1.454 0.00 0.00 +0.149 HD ATOM 24 O LIG 1 -3.236 -0.954 2.582 0.00 0.00 -0.270 OA BRANCH 22 25 ATOM 25 C LIG 1 -4.723 1.476 2.467 0.00 0.00 +0.145 C BRANCH 25 26 ATOM 26 C LIG 1 -5.649 1.433 1.287 0.00 0.00 +0.037 A ATOM 27 C LIG 1 -5.682 2.699 0.479 0.00 0.00 +0.254 A ATOM 28 O LIG 1 -4.950 3.653 0.732 0.00 0.00 -0.268 OA ATOM 29 N LIG 1 -6.566 2.741 -0.569 0.00 0.00 -0.326 N ATOM 30 H LIG 1 -6.577 3.609 -1.092 0.00 0.00 +0.169 HD ATOM 31 C LIG 1 -7.371 1.696 -0.946 0.00 0.00 +0.016 A ATOM 32 C LIG 1 -8.252 1.906 -2.138 0.00 0.00 +0.063 C ATOM 33 C LIG 1 -7.324 0.552 -0.247 0.00 0.00 +0.024 A ATOM 34 C LIG 1 -6.453 0.412 0.914 0.00 0.00 -0.039 A ATOM 35 C LIG 1 -6.545 -0.922 1.603 0.00 0.00 +0.044 C ENDBRANCH 25 26 ENDBRANCH 22 25 ENDBRANCH 6 21 BRANCH 9 36 ATOM 36 C LIG 1 0.481 -1.831 -1.506 0.00 0.00 +0.101 C ATOM 37 C LIG 1 0.149 -1.108 -2.825 0.00 0.00 +0.031 C BRANCH 36 38 ATOM 38 N LIG 1 -0.082 -3.205 -1.420 0.00 0.00 -0.290 NA ATOM 39 C LIG 1 0.381 -3.931 -0.205 0.00 0.00 +0.113 C ATOM 40 C LIG 1 1.839 -4.419 -0.284 0.00 0.00 +0.175 C ATOM 41 O LIG 1 2.060 -5.233 -1.443 0.00 0.00 -0.377 OA ATOM 42 C LIG 1 1.688 -4.539 -2.639 0.00 0.00 +0.175 C ATOM 43 C LIG 1 0.224 -4.072 -2.580 0.00 0.00 +0.113 C ENDBRANCH 36 38 ENDBRANCH 9 36 TORSDOF 8