REMARK Name = BDB034238 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -4.993 -0.619 -0.190 0.00 0.00 -0.279 N ATOM 2 C LIG 1 -3.992 -1.147 -1.000 0.00 0.00 +0.248 C ATOM 3 O LIG 1 -4.098 -2.002 -1.857 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -2.746 -0.464 -0.639 0.00 0.00 +0.042 A ATOM 5 C LIG 1 -3.046 0.504 0.312 0.00 0.00 -0.015 A ATOM 6 C LIG 1 -2.042 1.306 0.827 0.00 0.00 +0.051 A ATOM 7 C LIG 1 -0.727 1.122 0.370 0.00 0.00 +0.121 A ATOM 8 C LIG 1 -0.446 0.134 -0.591 0.00 0.00 +0.046 A ATOM 9 C LIG 1 -1.466 -0.673 -1.109 0.00 0.00 +0.017 A ATOM 10 C LIG 1 -4.508 0.499 0.603 0.00 0.00 +0.145 C ENDROOT BRANCH 1 15 ATOM 11 O LIG 1 -10.320 -1.244 -1.182 0.00 0.00 -0.275 OA ATOM 12 C LIG 1 -9.103 -1.136 -1.056 0.00 0.00 +0.223 C ATOM 13 C LIG 1 -8.194 -1.884 -0.001 0.00 0.00 +0.080 C ATOM 14 C LIG 1 -7.311 -0.921 0.865 0.00 0.00 +0.048 C ATOM 15 C LIG 1 -6.426 -0.849 -0.434 0.00 0.00 +0.116 C ATOM 16 C LIG 1 -7.081 0.100 -1.562 0.00 0.00 +0.243 C ATOM 17 O LIG 1 -6.583 1.091 -2.093 0.00 0.00 -0.273 OA ATOM 18 C LIG 1 -6.828 -2.366 -0.585 0.00 0.00 +0.048 C ATOM 19 N LIG 1 -8.386 -0.260 -1.849 0.00 0.00 -0.254 N ATOM 20 H LIG 1 -8.902 0.320 -2.494 0.00 0.00 +0.158 HD ENDBRANCH 1 15 BRANCH 7 21 ATOM 21 O LIG 1 0.181 1.963 0.950 0.00 0.00 -0.487 OA BRANCH 21 22 ATOM 22 C LIG 1 1.532 1.974 0.461 0.00 0.00 +0.190 C ATOM 23 C LIG 1 2.404 0.919 1.212 0.00 0.00 +0.097 C ATOM 24 C LIG 1 3.397 1.735 2.068 0.00 0.00 +0.023 C ATOM 25 C LIG 1 2.725 3.087 2.236 0.00 0.00 +0.005 C ATOM 26 C LIG 1 2.127 3.332 0.861 0.00 0.00 +0.046 C BRANCH 23 27 ATOM 27 N LIG 1 2.916 -0.134 0.324 0.00 0.00 -0.295 NA ATOM 28 C LIG 1 3.901 -1.028 0.969 0.00 0.00 +0.094 C ATOM 29 C LIG 1 4.678 -1.043 -0.379 0.00 0.00 +0.047 C ATOM 30 C LIG 1 3.942 0.302 -0.644 0.00 0.00 +0.094 C BRANCH 29 31 ATOM 31 C LIG 1 6.266 -1.072 -0.369 0.00 0.00 -0.042 A ATOM 32 C LIG 1 7.044 -0.187 0.405 0.00 0.00 +0.004 A ATOM 33 C LIG 1 8.442 -0.226 0.402 0.00 0.00 +0.000 A ATOM 34 C LIG 1 9.110 -1.159 -0.382 0.00 0.00 +0.000 A ATOM 35 C LIG 1 8.379 -2.050 -1.159 0.00 0.00 +0.000 A ATOM 36 C LIG 1 6.982 -2.003 -1.149 0.00 0.00 +0.004 A ENDBRANCH 29 31 ENDBRANCH 23 27 ENDBRANCH 21 22 ENDBRANCH 7 21 TORSDOF 5