REMARK Name = BDB034969 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.490 -0.434 1.310 0.00 0.00 -0.023 A ATOM 2 C LIG 1 0.414 0.574 0.957 0.00 0.00 +0.035 A ATOM 3 C LIG 1 1.711 0.282 0.563 0.00 0.00 +0.092 A ATOM 4 C LIG 1 2.079 -1.079 0.538 0.00 0.00 +0.092 A ATOM 5 C LIG 1 3.385 -1.357 0.137 0.00 0.00 -0.020 A ATOM 6 C LIG 1 4.247 -0.309 -0.210 0.00 0.00 +0.048 A ATOM 7 C LIG 1 3.787 0.998 -0.147 0.00 0.00 +0.117 A ATOM 8 C LIG 1 3.871 -2.779 0.077 0.00 0.00 +0.046 C ATOM 9 N LIG 1 1.230 -2.075 0.884 0.00 0.00 -0.253 NA ATOM 10 N LIG 1 2.538 1.294 0.233 0.00 0.00 -0.231 NA ATOM 11 C LIG 1 -0.021 -1.736 1.262 0.00 0.00 +0.115 A ENDROOT BRANCH 7 12 ATOM 12 N LIG 1 4.631 2.057 -0.490 0.00 0.00 -0.343 N ATOM 13 H LIG 1 4.936 1.954 -1.452 0.00 0.00 +0.144 HD ATOM 14 H LIG 1 5.452 2.050 0.107 0.00 0.00 +0.144 HD ENDBRANCH 7 12 BRANCH 1 15 ATOM 15 C LIG 1 -1.894 -0.128 1.762 0.00 0.00 +0.072 C BRANCH 15 18 ATOM 16 C LIG 1 -3.013 -1.320 -0.797 0.00 0.00 +0.044 C ATOM 17 C LIG 1 -3.247 0.115 -0.410 0.00 0.00 -0.047 A ATOM 18 C LIG 1 -2.721 0.674 0.775 0.00 0.00 -0.040 A ATOM 19 C LIG 1 -2.963 2.032 1.053 0.00 0.00 +0.004 A ATOM 20 C LIG 1 -3.703 2.826 0.178 0.00 0.00 +0.000 A ATOM 21 C LIG 1 -4.212 2.276 -0.992 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -3.982 0.933 -1.286 0.00 0.00 +0.003 A ENDBRANCH 15 18 ENDBRANCH 1 15 TORSDOF 3