REMARK Name = BDB002386 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.279 -0.105 0.350 0.00 0.00 +0.234 C ATOM 2 N LIG 1 -0.233 -0.482 -0.453 0.00 0.00 -0.303 N ATOM 3 H LIG 1 -0.403 -0.886 -1.372 0.00 0.00 +0.149 HD ATOM 4 O LIG 1 -1.117 0.381 1.470 0.00 0.00 -0.274 OA ENDROOT BRANCH 2 5 ATOM 5 C LIG 1 1.155 -0.420 -0.016 0.00 0.00 +0.156 C ATOM 6 C LIG 1 1.497 -1.597 0.892 0.00 0.00 +0.038 C BRANCH 5 7 ATOM 7 C LIG 1 2.061 -0.420 -1.267 0.00 0.00 +0.237 C ATOM 8 N LIG 1 3.376 -0.084 -0.980 0.00 0.00 -0.283 N ATOM 9 H LIG 1 3.566 0.147 -0.017 0.00 0.00 +0.155 HD ATOM 10 O LIG 1 1.601 -0.712 -2.369 0.00 0.00 -0.273 OA BRANCH 8 11 ATOM 11 C LIG 1 4.479 0.000 -1.873 0.00 0.00 +0.043 A ATOM 12 C LIG 1 5.768 0.378 -1.367 0.00 0.00 +0.022 A ATOM 13 C LIG 1 6.865 0.462 -2.260 0.00 0.00 +0.073 A ATOM 14 N LIG 1 8.107 0.808 -1.882 0.00 0.00 -0.255 NA ATOM 15 C LIG 1 8.330 1.088 -0.584 0.00 0.00 +0.111 A ATOM 16 C LIG 1 7.350 1.041 0.381 0.00 0.00 +0.020 A ATOM 17 C LIG 1 6.671 0.178 -3.600 0.00 0.00 +0.028 A ATOM 18 C LIG 1 5.425 -0.190 -4.096 0.00 0.00 +0.004 A ATOM 19 C LIG 1 6.063 0.684 -0.014 0.00 0.00 +0.013 A ATOM 20 C LIG 1 4.336 -0.279 -3.236 0.00 0.00 +0.024 A ENDBRANCH 8 11 ENDBRANCH 5 7 ENDBRANCH 2 5 BRANCH 1 21 ATOM 21 C LIG 1 -2.675 -0.261 -0.287 0.00 0.00 +0.159 C BRANCH 21 23 ATOM 22 C LIG 1 -4.055 -1.471 1.353 0.00 0.00 +0.230 C ATOM 23 N LIG 1 -3.667 -0.271 0.785 0.00 0.00 -0.303 N ATOM 24 H LIG 1 -3.625 0.514 1.423 0.00 0.00 +0.149 HD ATOM 25 O LIG 1 -3.744 -2.567 0.887 0.00 0.00 -0.274 OA BRANCH 22 26 ATOM 26 C LIG 1 -4.876 -1.319 2.655 0.00 0.00 +0.137 C ATOM 27 C LIG 1 -3.905 -1.429 3.830 0.00 0.00 +0.034 C BRANCH 26 29 ATOM 28 C LIG 1 -6.738 -2.371 3.860 0.00 0.00 +0.101 C ATOM 29 N LIG 1 -5.947 -2.331 2.645 0.00 0.00 -0.309 NA ATOM 30 H LIG 1 -5.529 -3.246 2.456 0.00 0.00 +0.122 HD ENDBRANCH 26 29 ENDBRANCH 22 26 ENDBRANCH 21 23 BRANCH 21 31 ATOM 31 C LIG 1 -2.949 0.842 -1.315 0.00 0.00 +0.041 C BRANCH 31 32 ATOM 32 C LIG 1 -2.913 2.262 -0.743 0.00 0.00 +0.098 C BRANCH 32 33 ATOM 33 C LIG 1 -3.176 3.302 -1.810 0.00 0.00 +0.211 C ATOM 34 O LIG 1 -3.380 3.056 -2.991 0.00 0.00 -0.276 OA ATOM 35 N LIG 1 -3.175 4.587 -1.350 0.00 0.00 -0.329 N ATOM 36 H LIG 1 -2.849 4.836 -0.427 0.00 0.00 +0.145 HD ATOM 37 H LIG 1 -3.285 5.322 -2.037 0.00 0.00 +0.145 HD ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 21 31 ENDBRANCH 1 21 TORSDOF 10