REMARK Name = BDB006415 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.158 -3.800 1.695 0.00 0.00 +0.046 C ATOM 2 C LIG 1 0.567 -2.503 1.594 0.00 0.00 -0.022 A ATOM 3 C LIG 1 0.243 -1.412 0.728 0.00 0.00 +0.004 A ATOM 4 C LIG 1 1.179 -0.402 0.952 0.00 0.00 +0.050 A ATOM 5 C LIG 1 1.149 0.812 0.244 0.00 0.00 +0.027 A ATOM 6 C LIG 1 0.139 1.001 -0.703 0.00 0.00 +0.015 A ATOM 7 C LIG 1 -0.821 0.016 -0.935 0.00 0.00 +0.037 A ATOM 8 N LIG 1 2.050 -0.862 1.924 0.00 0.00 -0.339 N ATOM 9 C LIG 1 -0.769 -1.200 -0.235 0.00 0.00 +0.023 A ATOM 10 C LIG 1 1.688 -2.134 2.325 0.00 0.00 +0.020 A ATOM 11 C LIG 1 2.431 -2.903 3.364 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 -1.875 0.282 -1.954 0.00 0.00 +0.245 C ATOM 13 N LIG 1 -3.086 -0.346 -1.749 0.00 0.00 -0.305 N ATOM 14 H LIG 1 -3.270 -0.713 -0.826 0.00 0.00 +0.150 HD ATOM 15 O LIG 1 -1.650 1.044 -2.887 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 -4.255 -0.015 -2.550 0.00 0.00 +0.100 C ATOM 17 C LIG 1 -5.007 -1.295 -2.921 0.00 0.00 +0.033 C BRANCH 16 18 ATOM 18 C LIG 1 -5.098 1.011 -1.810 0.00 0.00 -0.027 A ATOM 19 C LIG 1 -6.076 0.652 -0.867 0.00 0.00 +0.009 A ATOM 20 C LIG 1 -6.823 1.624 -0.177 0.00 0.00 -0.044 A ATOM 21 C LIG 1 -6.567 2.977 -0.438 0.00 0.00 +0.004 A ATOM 22 C LIG 1 -5.588 3.350 -1.357 0.00 0.00 +0.001 A ATOM 23 C LIG 1 -4.856 2.375 -2.033 0.00 0.00 +0.005 A BRANCH 20 24 ATOM 24 C LIG 1 -7.886 1.242 0.837 0.00 0.00 +0.013 C ATOM 25 C LIG 1 -9.016 0.435 0.193 0.00 0.00 +0.012 C ATOM 26 C LIG 1 -7.284 0.486 2.024 0.00 0.00 +0.012 C ENDBRANCH 20 24 ENDBRANCH 16 18 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 27 ATOM 27 C LIG 1 3.156 -0.074 2.474 0.00 0.00 +0.157 C BRANCH 27 28 ATOM 28 C LIG 1 4.327 0.071 1.528 0.00 0.00 -0.028 A ATOM 29 C LIG 1 5.005 1.296 1.453 0.00 0.00 +0.006 A ATOM 30 C LIG 1 6.110 1.452 0.609 0.00 0.00 +0.009 A ATOM 31 C LIG 1 6.578 0.390 -0.177 0.00 0.00 -0.018 A ATOM 32 C LIG 1 5.907 -0.839 -0.085 0.00 0.00 +0.009 A ATOM 33 C LIG 1 4.803 -1.000 0.759 0.00 0.00 +0.006 A BRANCH 31 34 ATOM 34 C LIG 1 7.736 0.557 -1.070 0.00 0.00 -0.018 A ATOM 35 C LIG 1 8.962 1.041 -0.585 0.00 0.00 +0.008 A ATOM 36 C LIG 1 10.062 1.200 -1.433 0.00 0.00 +0.001 A ATOM 37 C LIG 1 9.952 0.879 -2.784 0.00 0.00 +0.000 A ATOM 38 C LIG 1 8.745 0.399 -3.286 0.00 0.00 +0.001 A ATOM 39 C LIG 1 7.648 0.239 -2.436 0.00 0.00 +0.008 A ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 8 27 TORSDOF 7