REMARK Name = BDB038932 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.798 5.307 -0.016 0.00 0.00 +0.403 C ATOM 2 N LIG 1 -4.790 3.928 0.091 0.00 0.00 -0.263 N ATOM 3 C LIG 1 -3.489 3.270 0.137 0.00 0.00 +0.148 C ATOM 4 C LIG 1 -3.535 1.772 -0.032 0.00 0.00 +0.001 A ATOM 5 C LIG 1 -4.756 1.070 -0.145 0.00 0.00 -0.039 A ATOM 6 C LIG 1 -4.767 -0.320 -0.312 0.00 0.00 +0.006 A ATOM 7 C LIG 1 -3.581 -1.060 -0.349 0.00 0.00 +0.028 A ATOM 8 C LIG 1 -2.374 -0.358 -0.222 0.00 0.00 +0.069 A ATOM 9 N LIG 1 -1.034 -0.752 -0.218 0.00 0.00 -0.324 N ATOM 10 C LIG 1 -0.270 0.390 -0.009 0.00 0.00 +0.114 A ATOM 11 N LIG 1 -1.058 1.449 0.064 0.00 0.00 -0.232 NA ATOM 12 C LIG 1 -6.057 1.833 -0.143 0.00 0.00 +0.054 C ATOM 13 C LIG 1 -2.344 1.017 -0.060 0.00 0.00 +0.094 A ATOM 14 C LIG 1 -5.930 3.167 0.586 0.00 0.00 +0.116 C ATOM 15 O LIG 1 -3.797 5.985 -0.222 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 C LIG 1 1.222 0.590 0.123 0.00 0.00 +0.055 C ATOM 17 C LIG 1 1.938 0.700 -1.228 0.00 0.00 +0.012 C ATOM 18 C LIG 1 3.408 1.087 -1.056 0.00 0.00 +0.013 C ATOM 19 C LIG 1 4.134 0.159 -0.076 0.00 0.00 +0.077 C ATOM 20 C LIG 1 3.412 0.115 1.277 0.00 0.00 +0.013 C ATOM 21 C LIG 1 1.950 -0.310 1.118 0.00 0.00 +0.012 C BRANCH 19 22 ATOM 22 C LIG 1 5.579 0.615 0.087 0.00 0.00 +0.235 C ATOM 23 N LIG 1 6.433 0.193 -0.941 0.00 0.00 -0.190 N ATOM 24 H LIG 1 6.097 -0.378 -1.711 0.00 0.00 +0.176 HD ATOM 25 O LIG 1 5.978 1.261 1.044 0.00 0.00 -0.274 OA BRANCH 23 26 ATOM 26 S LIG 1 7.961 0.780 -1.201 0.00 0.00 +0.042 S ATOM 27 O LIG 1 7.910 2.223 -1.226 0.00 0.00 -0.155 OA ATOM 28 O LIG 1 8.447 0.036 -2.345 0.00 0.00 -0.155 OA ATOM 29 C LIG 1 8.867 0.226 0.231 0.00 0.00 +0.218 C ENDBRANCH 23 26 ENDBRANCH 19 22 ENDBRANCH 10 16 BRANCH 1 31 ATOM 30 C LIG 1 -6.090 7.260 0.020 0.00 0.00 +0.282 C ATOM 31 O LIG 1 -6.044 5.838 0.132 0.00 0.00 -0.454 OA ENDBRANCH 1 31 BRANCH 9 32 ATOM 32 C LIG 1 -0.662 -2.162 -0.377 0.00 0.00 +0.090 C ATOM 33 C LIG 1 0.455 -2.437 -1.385 0.00 0.00 +0.031 C BRANCH 32 34 ATOM 34 C LIG 1 -0.513 -2.861 0.990 0.00 0.00 +0.060 C BRANCH 34 35 ATOM 35 C LIG 1 -0.363 -4.360 0.895 0.00 0.00 -0.045 A ATOM 36 C LIG 1 -1.477 -5.170 0.634 0.00 0.00 +0.004 A ATOM 37 C LIG 1 -1.335 -6.554 0.528 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -0.082 -7.141 0.682 0.00 0.00 +0.000 A ATOM 39 C LIG 1 1.032 -6.346 0.944 0.00 0.00 +0.000 A ATOM 40 C LIG 1 0.893 -4.961 1.051 0.00 0.00 +0.004 A ENDBRANCH 34 35 ENDBRANCH 32 34 ENDBRANCH 9 32 TORSDOF 7