REMARK Name = BDB035128 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.639 -1.970 -0.395 0.00 0.00 -0.296 NA ATOM 2 C LIG 1 0.400 -2.727 -0.661 0.00 0.00 +0.100 C ATOM 3 C LIG 1 -0.645 -1.991 -1.533 0.00 0.00 +0.100 C ATOM 4 N LIG 1 -1.015 -0.633 -1.071 0.00 0.00 -0.292 NA ATOM 5 C LIG 1 -0.133 -0.195 0.027 0.00 0.00 +0.100 C ATOM 6 C LIG 1 1.349 -0.522 -0.270 0.00 0.00 +0.100 C ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -2.460 -0.503 -0.777 0.00 0.00 +0.101 C ATOM 8 C LIG 1 -2.854 0.800 -0.017 0.00 0.00 +0.165 C ATOM 9 N LIG 1 -4.313 1.025 0.090 0.00 0.00 -0.277 NA ATOM 10 C LIG 1 -4.987 0.710 -0.973 0.00 0.00 +0.120 C ATOM 11 C LIG 1 -4.441 0.061 -2.188 0.00 0.00 +0.030 C ATOM 12 C LIG 1 -3.250 -0.540 -2.068 0.00 0.00 -0.004 C BRANCH 10 13 ATOM 13 C LIG 1 -6.493 1.019 -0.987 0.00 0.00 +0.262 C ATOM 14 N LIG 1 -6.923 1.650 0.157 0.00 0.00 -0.306 N ATOM 15 H LIG 1 -6.229 1.717 0.899 0.00 0.00 +0.149 HD ATOM 16 O LIG 1 -7.194 0.702 -1.934 0.00 0.00 -0.269 OA BRANCH 14 17 ATOM 17 C LIG 1 -8.329 1.879 0.434 0.00 0.00 +0.088 C ATOM 18 C LIG 1 -8.555 2.858 1.598 0.00 0.00 +0.106 C ATOM 19 N LIG 1 -9.123 2.086 2.717 0.00 0.00 -0.304 NA ATOM 20 C LIG 1 -8.075 1.569 3.598 0.00 0.00 +0.104 C ATOM 21 C LIG 1 -9.868 0.998 2.067 0.00 0.00 +0.086 C ATOM 22 C LIG 1 -9.039 0.593 0.859 0.00 0.00 +0.039 C ENDBRANCH 14 17 ENDBRANCH 10 13 ENDBRANCH 4 7 BRANCH 1 23 ATOM 23 C LIG 1 2.651 -2.223 -1.437 0.00 0.00 +0.121 C BRANCH 23 33 ATOM 24 C LIG 1 8.470 0.125 0.264 0.00 0.00 +0.077 C ATOM 25 C LIG 1 7.244 1.021 0.437 0.00 0.00 +0.217 C ATOM 26 O LIG 1 7.279 2.229 0.637 0.00 0.00 -0.275 OA ATOM 27 N LIG 1 6.047 0.355 0.396 0.00 0.00 -0.307 N ATOM 28 H LIG 1 5.218 0.915 0.540 0.00 0.00 +0.149 HD ATOM 29 C LIG 1 5.992 -1.081 0.285 0.00 0.00 +0.121 C ATOM 30 C LIG 1 6.912 -1.604 -0.845 0.00 0.00 +0.130 C ATOM 31 N LIG 1 6.289 -1.589 -2.186 0.00 0.00 -0.286 NA ATOM 32 C LIG 1 5.009 -1.704 -2.238 0.00 0.00 +0.110 C ATOM 33 C LIG 1 4.060 -1.809 -1.100 0.00 0.00 -0.018 C ATOM 34 C LIG 1 4.563 -1.474 0.099 0.00 0.00 +0.003 C ATOM 35 C LIG 1 8.225 -0.795 -0.944 0.00 0.00 +0.041 C BRANCH 24 37 ATOM 36 C LIG 1 10.294 1.525 1.368 0.00 0.00 +0.004 C ATOM 37 C LIG 1 9.765 0.930 0.068 0.00 0.00 +0.009 C ENDBRANCH 24 37 ENDBRANCH 23 33 ENDBRANCH 1 23 TORSDOF 6