REMARK Name = BDB021488 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.094 -0.487 -0.324 0.00 0.00 +0.124 A ATOM 2 C LIG 1 1.922 -0.433 -1.078 0.00 0.00 +0.092 A ATOM 3 C LIG 1 0.685 -0.896 -0.585 0.00 0.00 +0.136 A ATOM 4 O LIG 1 -0.294 -0.742 -1.521 0.00 0.00 -0.490 OA ATOM 5 C LIG 1 -1.641 -0.939 -1.130 0.00 0.00 +0.248 C ATOM 6 C LIG 1 -1.871 -2.372 -0.683 0.00 0.00 +0.149 C ATOM 7 N LIG 1 -1.672 -2.497 0.754 0.00 0.00 -0.292 N ATOM 8 C LIG 1 -0.567 -1.991 1.429 0.00 0.00 +0.250 C ATOM 9 O LIG 1 -0.526 -2.021 2.661 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 0.620 -1.429 0.708 0.00 0.00 +0.079 A ATOM 11 C LIG 1 1.815 -1.463 1.464 0.00 0.00 +0.020 A ATOM 12 C LIG 1 3.036 -1.000 0.961 0.00 0.00 +0.046 A ENDROOT BRANCH 1 13 ATOM 13 O LIG 1 4.200 0.026 -0.937 0.00 0.00 -0.487 OA BRANCH 13 18 ATOM 14 C LIG 1 7.157 2.230 -4.302 0.00 0.00 +0.109 C ATOM 15 C LIG 1 7.039 0.882 -3.641 0.00 0.00 +0.213 C ATOM 16 N LIG 1 6.682 0.864 -2.302 0.00 0.00 -0.298 N ATOM 17 C LIG 1 6.434 -0.436 -1.672 0.00 0.00 +0.152 C ATOM 18 C LIG 1 5.497 -0.369 -0.454 0.00 0.00 +0.191 C ATOM 19 C LIG 1 6.004 0.645 0.582 0.00 0.00 +0.048 C ATOM 20 C LIG 1 6.795 1.805 -0.024 0.00 0.00 +0.023 C ATOM 21 C LIG 1 6.465 2.059 -1.488 0.00 0.00 +0.108 C ATOM 22 O LIG 1 7.260 -0.144 -4.285 0.00 0.00 -0.276 OA ENDBRANCH 13 18 ENDBRANCH 1 13 BRANCH 7 23 ATOM 23 C LIG 1 -2.679 -3.238 1.528 0.00 0.00 +0.140 C BRANCH 23 24 ATOM 24 C LIG 1 -3.676 -2.347 2.291 0.00 0.00 +0.146 C BRANCH 24 25 ATOM 25 O LIG 1 -4.541 -3.180 3.077 0.00 0.00 -0.389 OA ATOM 26 H LIG 1 -5.307 -2.610 3.291 0.00 0.00 +0.210 HD ENDBRANCH 24 25 BRANCH 24 27 ATOM 27 C LIG 1 -4.557 -1.511 1.339 0.00 0.00 +0.117 C BRANCH 27 28 ATOM 28 N LIG 1 -5.608 -0.741 2.048 0.00 0.00 -0.295 NA ATOM 29 C LIG 1 -6.538 -0.123 1.078 0.00 0.00 +0.120 C ATOM 30 C LIG 1 -5.967 1.059 0.323 0.00 0.00 -0.030 A ATOM 31 C LIG 1 -4.917 1.822 0.867 0.00 0.00 -0.042 A ATOM 32 C LIG 1 -4.424 2.927 0.162 0.00 0.00 +0.004 A ATOM 33 C LIG 1 -4.983 3.285 -1.064 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -6.034 2.542 -1.596 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -4.279 1.417 2.173 0.00 0.00 +0.051 C ATOM 36 C LIG 1 -6.527 1.436 -0.904 0.00 0.00 +0.005 A ATOM 37 C LIG 1 -5.072 0.329 2.915 0.00 0.00 +0.089 C ENDBRANCH 27 28 ENDBRANCH 24 27 ENDBRANCH 23 24 ENDBRANCH 7 23 TORSDOF 7