REMARK Name = BDB038981 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.043 1.172 -0.547 0.00 0.00 +0.403 C ATOM 2 N LIG 1 5.223 0.110 -0.212 0.00 0.00 -0.263 N ATOM 3 C LIG 1 3.813 0.401 0.023 0.00 0.00 +0.148 C ATOM 4 C LIG 1 2.924 -0.814 0.100 0.00 0.00 +0.001 A ATOM 5 C LIG 1 3.444 -2.128 0.021 0.00 0.00 -0.039 A ATOM 6 C LIG 1 2.593 -3.241 0.078 0.00 0.00 +0.006 A ATOM 7 C LIG 1 1.213 -3.099 0.243 0.00 0.00 +0.028 A ATOM 8 C LIG 1 0.712 -1.797 0.340 0.00 0.00 +0.069 A ATOM 9 N LIG 1 -0.557 -1.283 0.500 0.00 0.00 -0.326 N ATOM 10 C LIG 1 -0.463 0.094 0.540 0.00 0.00 +0.114 A ATOM 11 N LIG 1 0.792 0.472 0.403 0.00 0.00 -0.232 NA ATOM 12 C LIG 1 4.924 -2.331 -0.186 0.00 0.00 +0.054 C ATOM 13 C LIG 1 1.532 -0.676 0.275 0.00 0.00 +0.094 A ATOM 14 C LIG 1 5.734 -1.144 0.327 0.00 0.00 +0.116 C ATOM 15 O LIG 1 5.636 2.300 -0.802 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 C LIG 1 -1.623 1.041 0.715 0.00 0.00 +0.055 C ATOM 17 C LIG 1 -1.770 1.938 -0.530 0.00 0.00 +0.014 C ATOM 18 C LIG 1 -2.610 3.178 -0.230 0.00 0.00 +0.032 C ATOM 19 C LIG 1 -1.984 4.054 0.869 0.00 0.00 +0.118 C ATOM 20 C LIG 1 -0.993 3.279 1.747 0.00 0.00 +0.032 C ATOM 21 C LIG 1 -1.474 1.857 2.015 0.00 0.00 +0.014 C BRANCH 19 22 ATOM 22 O LIG 1 -1.269 5.154 0.297 0.00 0.00 -0.380 OA ATOM 23 C LIG 1 -2.100 6.260 -0.026 0.00 0.00 +0.194 C ENDBRANCH 19 22 ENDBRANCH 10 16 BRANCH 1 25 ATOM 24 C LIG 1 8.237 1.903 -0.917 0.00 0.00 +0.282 C ATOM 25 O LIG 1 7.361 0.831 -0.568 0.00 0.00 -0.454 OA ENDBRANCH 1 25 BRANCH 9 26 ATOM 26 C LIG 1 -1.776 -2.070 0.618 0.00 0.00 +0.143 C BRANCH 26 27 ATOM 27 C LIG 1 -2.555 -2.150 -0.702 0.00 0.00 +0.147 C BRANCH 27 28 ATOM 28 C LIG 1 -4.015 -2.503 -0.465 0.00 0.00 -0.032 A ATOM 29 C LIG 1 -5.020 -1.609 -0.867 0.00 0.00 +0.004 A ATOM 30 C LIG 1 -6.366 -1.908 -0.645 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -6.723 -3.101 -0.023 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -5.737 -3.999 0.377 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -4.390 -3.704 0.158 0.00 0.00 +0.004 A ENDBRANCH 27 28 BRANCH 27 34 ATOM 34 C LIG 1 -1.885 -3.143 -1.629 0.00 0.00 +0.314 C ATOM 35 O LIG 1 -1.553 -4.286 -1.356 0.00 0.00 -0.250 OA BRANCH 34 36 ATOM 36 O LIG 1 -1.673 -2.645 -2.864 0.00 0.00 -0.480 OA ATOM 37 H LIG 1 -1.231 -3.370 -3.354 0.00 0.00 +0.295 HD ENDBRANCH 34 36 ENDBRANCH 27 34 ENDBRANCH 26 27 ENDBRANCH 9 26 TORSDOF 8