REMARK Name = BDB007148 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.143 -2.882 -0.481 0.00 0.00 +0.046 C ATOM 2 C LIG 1 -0.621 -1.744 -1.066 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -0.261 -0.361 -1.003 0.00 0.00 +0.004 A ATOM 4 C LIG 1 -1.248 0.365 -1.670 0.00 0.00 +0.050 A ATOM 5 C LIG 1 -1.193 1.765 -1.777 0.00 0.00 +0.027 A ATOM 6 C LIG 1 -0.104 2.431 -1.207 0.00 0.00 +0.015 A ATOM 7 C LIG 1 0.907 1.731 -0.546 0.00 0.00 +0.037 A ATOM 8 N LIG 1 -2.188 -0.546 -2.121 0.00 0.00 -0.339 N ATOM 9 C LIG 1 0.826 0.335 -0.424 0.00 0.00 +0.023 A ATOM 10 C LIG 1 -1.817 -1.829 -1.765 0.00 0.00 +0.020 A ATOM 11 C LIG 1 -2.633 -3.030 -2.106 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 2.039 2.512 0.032 0.00 0.00 +0.245 C ATOM 13 N LIG 1 3.220 1.829 0.237 0.00 0.00 -0.305 N ATOM 14 H LIG 1 3.344 0.931 -0.210 0.00 0.00 +0.150 HD ATOM 15 O LIG 1 1.909 3.709 0.262 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 4.423 2.511 0.687 0.00 0.00 +0.100 C ATOM 17 C LIG 1 4.337 2.904 2.165 0.00 0.00 +0.033 C BRANCH 16 18 ATOM 18 C LIG 1 5.635 1.639 0.400 0.00 0.00 -0.027 A ATOM 19 C LIG 1 5.876 0.450 1.116 0.00 0.00 +0.009 A ATOM 20 C LIG 1 6.983 -0.381 0.858 0.00 0.00 -0.044 A ATOM 21 C LIG 1 7.847 0.024 -0.174 0.00 0.00 +0.004 A ATOM 22 C LIG 1 7.622 1.192 -0.907 0.00 0.00 +0.001 A ATOM 23 C LIG 1 6.521 1.994 -0.623 0.00 0.00 +0.005 A BRANCH 20 24 ATOM 24 C LIG 1 7.193 -1.639 1.684 0.00 0.00 +0.019 C ATOM 25 C LIG 1 8.582 -2.098 2.057 0.00 0.00 +0.009 C ATOM 26 C LIG 1 7.770 -2.893 1.075 0.00 0.00 +0.009 C ENDBRANCH 20 24 ENDBRANCH 16 18 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 27 ATOM 27 C LIG 1 -3.378 -0.193 -2.898 0.00 0.00 +0.157 C BRANCH 27 28 ATOM 28 C LIG 1 -4.665 -0.279 -2.109 0.00 0.00 -0.027 A ATOM 29 C LIG 1 -4.758 0.164 -0.778 0.00 0.00 +0.010 A ATOM 30 C LIG 1 -5.965 0.091 -0.050 0.00 0.00 -0.033 A ATOM 31 C LIG 1 -7.098 -0.405 -0.712 0.00 0.00 +0.004 A ATOM 32 C LIG 1 -7.026 -0.825 -2.041 0.00 0.00 +0.001 A ATOM 33 C LIG 1 -5.820 -0.761 -2.736 0.00 0.00 +0.005 A BRANCH 30 34 ATOM 34 C LIG 1 -5.993 0.550 1.421 0.00 0.00 +0.066 C ATOM 35 C LIG 1 -7.306 0.212 2.161 0.00 0.00 +0.025 C ATOM 36 C LIG 1 -5.813 2.083 1.462 0.00 0.00 +0.025 C BRANCH 34 37 ATOM 37 C LIG 1 -4.856 -0.121 2.232 0.00 0.00 +0.220 C ATOM 38 O LIG 1 -4.052 0.488 2.932 0.00 0.00 -0.275 OA ATOM 39 N LIG 1 -4.805 -1.489 2.183 0.00 0.00 -0.329 N ATOM 40 H LIG 1 -5.178 -1.965 1.370 0.00 0.00 +0.145 HD ATOM 41 H LIG 1 -3.978 -1.895 2.602 0.00 0.00 +0.145 HD ENDBRANCH 34 37 ENDBRANCH 30 34 ENDBRANCH 27 28 ENDBRANCH 8 27 TORSDOF 8