REMARK Name = BDB024145 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.666 -1.141 0.011 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 1.658 -2.648 -0.197 0.00 0.00 -0.022 A ATOM 3 C LIG 1 1.444 -3.212 -1.465 0.00 0.00 +0.005 A ATOM 4 C LIG 1 1.444 -4.597 -1.637 0.00 0.00 +0.000 A ATOM 5 C LIG 1 1.663 -5.436 -0.546 0.00 0.00 +0.000 A ATOM 6 C LIG 1 1.885 -4.891 0.717 0.00 0.00 +0.000 A ATOM 7 C LIG 1 1.885 -3.506 0.892 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 -0.702 -0.563 0.351 0.00 0.00 -0.284 N ATOM 9 H LIG 1 -0.523 -1.056 1.217 0.00 0.00 +0.155 HD ATOM 10 C LIG 1 0.352 -0.508 -0.554 0.00 0.00 +0.239 C ATOM 11 O LIG 1 0.295 -0.049 -1.695 0.00 0.00 -0.273 OA BRANCH 8 16 ATOM 12 C LIG 1 -4.685 0.836 -0.011 0.00 0.00 +0.003 A ATOM 13 C LIG 1 -3.767 1.091 -1.042 0.00 0.00 +0.051 A ATOM 14 CL LIG 1 -4.188 1.998 -2.457 0.00 0.00 -0.083 Cl ATOM 15 C LIG 1 -2.443 0.637 -0.946 0.00 0.00 +0.044 A ATOM 16 C LIG 1 -2.013 -0.074 0.176 0.00 0.00 +0.035 A ATOM 17 C LIG 1 -2.924 -0.318 1.209 0.00 0.00 +0.024 A ATOM 18 C LIG 1 -4.245 0.132 1.118 0.00 0.00 +0.012 A BRANCH 12 23 ATOM 19 C LIG 1 -9.421 1.422 -1.347 0.00 0.00 +0.172 C ATOM 20 N LIG 1 -8.164 1.493 -0.644 0.00 0.00 -0.274 N ATOM 21 N LIG 1 -8.081 2.207 0.495 0.00 0.00 -0.179 NA ATOM 22 C LIG 1 -6.801 2.073 0.854 0.00 0.00 +0.143 A ATOM 23 C LIG 1 -6.067 1.270 -0.047 0.00 0.00 +0.021 A ATOM 24 C LIG 1 -6.992 0.889 -0.995 0.00 0.00 +0.116 A ENDBRANCH 12 23 ENDBRANCH 8 16 ENDBRANCH 1 10 BRANCH 1 25 ATOM 25 N LIG 1 2.818 -0.458 -0.607 0.00 0.00 -0.302 NA ATOM 26 H LIG 1 2.733 -0.528 -1.622 0.00 0.00 +0.123 HD BRANCH 25 27 ATOM 27 C LIG 1 4.120 -0.940 -0.150 0.00 0.00 +0.086 C BRANCH 27 28 ATOM 28 C LIG 1 5.265 -0.051 -0.664 0.00 0.00 +0.050 C BRANCH 28 29 ATOM 29 C LIG 1 5.367 1.276 0.055 0.00 0.00 -0.046 A ATOM 30 C LIG 1 6.251 1.435 1.131 0.00 0.00 +0.005 A ATOM 31 C LIG 1 6.337 2.657 1.802 0.00 0.00 +0.019 A ATOM 32 C LIG 1 5.536 3.733 1.407 0.00 0.00 +0.052 A ATOM 33 C LIG 1 4.649 3.581 0.338 0.00 0.00 +0.019 A ATOM 34 C LIG 1 4.566 2.358 -0.333 0.00 0.00 +0.005 A BRANCH 32 35 ATOM 35 C LIG 1 5.622 4.985 2.100 0.00 0.00 +0.099 C ATOM 36 N LIG 1 5.694 5.996 2.666 0.00 0.00 -0.191 NA ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 9