REMARK Name = BDB007108 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.769 -4.936 -0.115 0.00 0.00 +0.046 C ATOM 2 C LIG 1 -1.631 -3.577 0.478 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -0.575 -2.647 0.230 0.00 0.00 +0.004 A ATOM 4 C LIG 1 -0.829 -1.501 0.986 0.00 0.00 +0.050 A ATOM 5 C LIG 1 0.042 -0.396 0.970 0.00 0.00 +0.027 A ATOM 6 C LIG 1 1.190 -0.462 0.172 0.00 0.00 +0.015 A ATOM 7 C LIG 1 1.458 -1.589 -0.607 0.00 0.00 +0.037 A ATOM 8 N LIG 1 -2.016 -1.720 1.666 0.00 0.00 -0.339 N ATOM 9 C LIG 1 0.585 -2.688 -0.573 0.00 0.00 +0.023 A ATOM 10 C LIG 1 -2.499 -2.985 1.384 0.00 0.00 +0.020 A ATOM 11 C LIG 1 -3.754 -3.529 1.977 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 2.675 -1.692 -1.462 0.00 0.00 +0.245 C ATOM 13 N LIG 1 3.236 -0.506 -1.883 0.00 0.00 -0.305 N ATOM 14 H LIG 1 2.734 0.361 -1.761 0.00 0.00 +0.150 HD ATOM 15 O LIG 1 3.117 -2.791 -1.776 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 4.407 -0.473 -2.744 0.00 0.00 +0.100 C ATOM 17 C LIG 1 4.018 -0.738 -4.200 0.00 0.00 +0.033 C BRANCH 16 18 ATOM 18 C LIG 1 5.148 0.833 -2.507 0.00 0.00 -0.027 A ATOM 19 C LIG 1 5.995 0.928 -1.386 0.00 0.00 +0.009 A ATOM 20 C LIG 1 6.689 2.111 -1.081 0.00 0.00 -0.044 A ATOM 21 C LIG 1 6.516 3.219 -1.920 0.00 0.00 +0.004 A ATOM 22 C LIG 1 5.672 3.146 -3.028 0.00 0.00 +0.001 A ATOM 23 C LIG 1 4.988 1.964 -3.317 0.00 0.00 +0.005 A BRANCH 20 24 ATOM 24 C LIG 1 7.606 2.208 0.124 0.00 0.00 +0.013 C ATOM 25 C LIG 1 8.772 1.221 0.028 0.00 0.00 +0.012 C ATOM 26 C LIG 1 6.835 2.015 1.433 0.00 0.00 +0.012 C ENDBRANCH 20 24 ENDBRANCH 16 18 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 27 ATOM 27 C LIG 1 -2.640 -0.762 2.583 0.00 0.00 +0.157 C BRANCH 27 28 ATOM 28 C LIG 1 -3.889 -0.129 2.013 0.00 0.00 -0.028 A ATOM 29 C LIG 1 -5.061 -0.080 2.778 0.00 0.00 +0.006 A ATOM 30 C LIG 1 -6.221 0.514 2.268 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -6.253 1.080 0.984 0.00 0.00 -0.031 A ATOM 32 C LIG 1 -5.063 1.049 0.239 0.00 0.00 +0.005 A ATOM 33 C LIG 1 -3.899 0.459 0.743 0.00 0.00 +0.006 A BRANCH 31 34 ATOM 34 C LIG 1 -7.518 1.726 0.430 0.00 0.00 +0.092 C ATOM 35 C LIG 1 -8.792 0.886 0.373 0.00 0.00 +0.024 C ATOM 36 C LIG 1 -8.063 1.193 -0.895 0.00 0.00 +0.024 C BRANCH 34 37 ATOM 37 C LIG 1 -7.655 3.193 0.681 0.00 0.00 +0.315 C ATOM 38 O LIG 1 -7.190 4.062 -0.038 0.00 0.00 -0.250 OA BRANCH 37 39 ATOM 39 O LIG 1 -8.350 3.489 1.799 0.00 0.00 -0.480 OA ATOM 40 H LIG 1 -8.325 4.466 1.829 0.00 0.00 +0.295 HD ENDBRANCH 37 39 ENDBRANCH 34 37 ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 8 27 TORSDOF 9