REMARK Name = BDB038974 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -7.030 -0.948 -1.244 0.00 0.00 +0.403 C ATOM 2 N LIG 1 -5.773 -1.525 -1.179 0.00 0.00 -0.263 N ATOM 3 C LIG 1 -4.666 -0.658 -0.793 0.00 0.00 +0.148 C ATOM 4 C LIG 1 -3.374 -1.375 -0.497 0.00 0.00 +0.001 A ATOM 5 C LIG 1 -3.239 -2.771 -0.667 0.00 0.00 -0.039 A ATOM 6 C LIG 1 -2.026 -3.411 -0.379 0.00 0.00 +0.006 A ATOM 7 C LIG 1 -0.907 -2.695 0.057 0.00 0.00 +0.028 A ATOM 8 C LIG 1 -1.045 -1.310 0.210 0.00 0.00 +0.069 A ATOM 9 N LIG 1 -0.182 -0.301 0.601 0.00 0.00 -0.324 N ATOM 10 C LIG 1 -0.895 0.888 0.596 0.00 0.00 +0.114 A ATOM 11 N LIG 1 -2.126 0.687 0.170 0.00 0.00 -0.232 NA ATOM 12 C LIG 1 -4.429 -3.588 -1.102 0.00 0.00 +0.054 C ATOM 13 C LIG 1 -2.244 -0.658 -0.056 0.00 0.00 +0.094 A ATOM 14 C LIG 1 -5.434 -2.751 -1.890 0.00 0.00 +0.116 C ATOM 15 O LIG 1 -7.279 0.194 -0.873 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 C LIG 1 -0.349 2.241 0.985 0.00 0.00 +0.055 C ATOM 17 C LIG 1 -1.453 3.146 1.573 0.00 0.00 +0.012 C ATOM 18 C LIG 1 -2.166 3.977 0.506 0.00 0.00 +0.015 C ATOM 19 C LIG 1 -1.199 4.880 -0.277 0.00 0.00 +0.098 C ATOM 20 C LIG 1 0.262 4.408 -0.194 0.00 0.00 +0.015 C ATOM 21 C LIG 1 0.352 2.886 -0.227 0.00 0.00 +0.012 C BRANCH 19 22 ATOM 22 C LIG 1 -1.333 6.323 0.184 0.00 0.00 +0.308 C ATOM 23 O LIG 1 -0.523 6.920 0.875 0.00 0.00 -0.251 OA BRANCH 22 24 ATOM 24 O LIG 1 -2.477 6.906 -0.248 0.00 0.00 -0.480 OA ATOM 25 H LIG 1 -3.050 6.312 -0.769 0.00 0.00 +0.295 HD ENDBRANCH 22 24 ENDBRANCH 19 22 ENDBRANCH 10 16 BRANCH 1 27 ATOM 26 C LIG 1 -9.276 -1.227 -1.847 0.00 0.00 +0.282 C ATOM 27 O LIG 1 -7.966 -1.787 -1.769 0.00 0.00 -0.454 OA ENDBRANCH 1 27 BRANCH 9 28 ATOM 28 C LIG 1 1.248 -0.456 0.929 0.00 0.00 +0.086 C ATOM 29 C LIG 1 1.431 -1.331 2.166 0.00 0.00 +0.031 C BRANCH 28 30 ATOM 30 C LIG 1 2.052 -0.853 -0.336 0.00 0.00 +0.031 C BRANCH 30 31 ATOM 31 C LIG 1 3.610 -1.007 -0.287 0.00 0.00 -0.030 C ATOM 32 C LIG 1 4.312 0.176 0.433 0.00 0.00 +0.009 C ATOM 33 C LIG 1 5.480 -0.237 1.334 0.00 0.00 +0.032 C ATOM 34 C LIG 1 6.350 -1.324 0.706 0.00 0.00 +0.118 C ATOM 35 C LIG 1 5.531 -2.588 0.409 0.00 0.00 +0.032 C ATOM 36 C LIG 1 4.018 -2.357 0.347 0.00 0.00 +0.009 C ATOM 37 C LIG 1 4.070 -1.023 -1.774 0.00 0.00 +0.011 C BRANCH 34 38 ATOM 38 O LIG 1 7.417 -1.708 1.579 0.00 0.00 -0.380 OA ATOM 39 C LIG 1 8.492 -0.779 1.615 0.00 0.00 +0.194 C ENDBRANCH 34 38 ENDBRANCH 30 31 ENDBRANCH 28 30 ENDBRANCH 9 28 TORSDOF 8