REMARK Name = BDB026939 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.473 -0.743 -0.255 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 1.502 -2.143 0.341 0.00 0.00 -0.023 A ATOM 3 C LIG 1 2.127 -2.375 1.577 0.00 0.00 +0.005 A ATOM 4 C LIG 1 2.157 -3.658 2.129 0.00 0.00 +0.000 A ATOM 5 C LIG 1 1.573 -4.724 1.448 0.00 0.00 +0.000 A ATOM 6 C LIG 1 0.966 -4.513 0.213 0.00 0.00 +0.000 A ATOM 7 C LIG 1 0.935 -3.232 -0.341 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 0.038 -0.295 -0.673 0.00 0.00 +0.186 C ATOM 9 O LIG 1 -0.196 0.019 -1.846 0.00 0.00 -0.290 OA BRANCH 8 14 ATOM 10 C LIG 1 -5.188 0.515 0.348 0.00 0.00 +0.039 A ATOM 11 C LIG 1 -4.422 0.329 1.509 0.00 0.00 +0.039 A ATOM 12 C LIG 1 -3.046 0.108 1.361 0.00 0.00 +0.048 A ATOM 13 C LIG 1 -2.412 0.075 0.119 0.00 0.00 +0.010 A ATOM 14 C LIG 1 -1.015 -0.178 0.348 0.00 0.00 +0.044 A ATOM 15 C LIG 1 -0.858 -0.268 1.721 0.00 0.00 +0.095 A ATOM 16 C LIG 1 -3.200 0.283 -1.034 0.00 0.00 +0.011 A ATOM 17 N LIG 1 -2.082 -0.105 2.315 0.00 0.00 -0.360 N ATOM 18 H LIG 1 -2.258 -0.132 3.311 0.00 0.00 +0.165 HD ATOM 19 C LIG 1 -4.579 0.507 -0.910 0.00 0.00 +0.014 A BRANCH 10 22 ATOM 20 N LIG 1 -7.460 0.338 -0.525 0.00 0.00 -0.312 N ATOM 21 H LIG 1 -7.066 -0.178 -1.299 0.00 0.00 +0.149 HD ATOM 22 C LIG 1 -6.650 0.748 0.514 0.00 0.00 +0.244 C ATOM 23 O LIG 1 -7.078 1.253 1.546 0.00 0.00 -0.270 OA BRANCH 20 25 ATOM 24 C LIG 1 -9.313 1.896 -0.924 0.00 0.00 +0.024 C ATOM 25 C LIG 1 -8.897 0.505 -0.480 0.00 0.00 +0.101 C ENDBRANCH 20 25 ENDBRANCH 10 22 ENDBRANCH 8 14 ENDBRANCH 1 8 BRANCH 1 26 ATOM 26 N LIG 1 2.365 -0.686 -1.442 0.00 0.00 -0.303 NA ATOM 27 H LIG 1 1.972 -0.016 -2.110 0.00 0.00 +0.123 HD BRANCH 26 28 ATOM 28 C LIG 1 3.758 -0.370 -1.134 0.00 0.00 +0.086 C BRANCH 28 29 ATOM 29 C LIG 1 4.011 1.128 -0.881 0.00 0.00 +0.051 C BRANCH 29 30 ATOM 30 C LIG 1 5.442 1.553 -0.592 0.00 0.00 -0.028 A ATOM 31 C LIG 1 5.733 2.901 -0.297 0.00 0.00 +0.045 A ATOM 32 CL LIG 1 4.493 4.108 -0.247 0.00 0.00 -0.083 Cl ATOM 33 C LIG 1 7.041 3.320 -0.031 0.00 0.00 +0.039 A ATOM 34 C LIG 1 8.088 2.400 -0.055 0.00 0.00 +0.053 A ATOM 35 C LIG 1 7.821 1.062 -0.347 0.00 0.00 +0.019 A ATOM 36 C LIG 1 6.512 0.643 -0.613 0.00 0.00 +0.006 A BRANCH 34 37 ATOM 37 C LIG 1 9.429 2.825 0.218 0.00 0.00 +0.099 C ATOM 38 N LIG 1 10.515 3.168 0.442 0.00 0.00 -0.191 NA ENDBRANCH 34 37 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 1 26 TORSDOF 10