REMARK Name = BDB063455 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.314 -0.301 0.628 0.00 0.00 -0.284 N ATOM 2 H LIG 1 1.342 0.618 0.210 0.00 0.00 +0.155 HD ENDROOT BRANCH 1 7 ATOM 3 C LIG 1 6.210 -3.292 0.282 0.00 0.00 +0.044 C ATOM 4 C LIG 1 4.956 -2.470 0.390 0.00 0.00 -0.040 A ATOM 5 C LIG 1 4.905 -1.099 0.076 0.00 0.00 +0.022 A ATOM 6 C LIG 1 3.670 -0.425 0.146 0.00 0.00 +0.035 A ATOM 7 C LIG 1 2.487 -1.059 0.555 0.00 0.00 +0.034 A ATOM 8 C LIG 1 2.572 -2.403 0.915 0.00 0.00 +0.023 A ATOM 9 C LIG 1 3.782 -3.101 0.829 0.00 0.00 +0.006 A BRANCH 5 10 ATOM 10 C LIG 1 6.076 -0.318 -0.329 0.00 0.00 +0.140 A ATOM 11 N LIG 1 7.272 -0.329 0.353 0.00 0.00 -0.338 N ATOM 12 H LIG 1 7.461 -0.868 1.184 0.00 0.00 +0.167 HD ATOM 13 C LIG 1 8.141 0.532 -0.263 0.00 0.00 +0.066 A ATOM 14 C LIG 1 7.401 1.065 -1.311 0.00 0.00 +0.089 A ATOM 15 C LIG 1 7.998 2.007 -2.161 0.00 0.00 +0.030 A ATOM 16 C LIG 1 9.327 2.379 -1.923 0.00 0.00 +0.002 A ATOM 17 C LIG 1 10.046 1.826 -0.860 0.00 0.00 +0.002 A ATOM 18 C LIG 1 9.466 0.886 0.001 0.00 0.00 +0.028 A ATOM 19 N LIG 1 6.130 0.547 -1.326 0.00 0.00 -0.228 NA ENDBRANCH 5 10 ENDBRANCH 1 7 BRANCH 1 20 ATOM 20 C LIG 1 0.008 -0.570 1.029 0.00 0.00 +0.221 A ATOM 21 N LIG 1 -0.862 0.433 0.819 0.00 0.00 -0.199 NA ATOM 22 C LIG 1 -2.154 0.263 1.172 0.00 0.00 +0.130 A ATOM 23 C LIG 1 -2.568 -0.910 1.774 0.00 0.00 +0.064 A ATOM 24 C LIG 1 -1.616 -1.880 1.956 0.00 0.00 +0.118 A ATOM 25 N LIG 1 -0.334 -1.735 1.592 0.00 0.00 -0.223 NA BRANCH 22 26 ATOM 26 N LIG 1 -3.095 1.314 0.979 0.00 0.00 -0.288 N ATOM 27 C LIG 1 -2.511 2.493 0.323 0.00 0.00 +0.137 C BRANCH 26 28 ATOM 28 C LIG 1 -4.458 1.129 0.582 0.00 0.00 +0.037 A ATOM 29 C LIG 1 -4.802 0.133 -0.367 0.00 0.00 +0.053 A ATOM 30 C LIG 1 -6.173 0.060 -0.663 0.00 0.00 +0.095 A ATOM 31 C LIG 1 -7.119 0.948 -0.034 0.00 0.00 +0.023 A ATOM 32 C LIG 1 -8.363 0.635 -0.526 0.00 0.00 +0.044 A ATOM 33 N LIG 1 -8.123 -0.401 -1.399 0.00 0.00 -0.270 N ATOM 34 C LIG 1 -9.104 -1.107 -2.193 0.00 0.00 +0.172 C ATOM 35 C LIG 1 -9.716 1.185 -0.273 0.00 0.00 +0.066 C ATOM 36 C LIG 1 -6.832 1.940 0.897 0.00 0.00 +0.013 A ATOM 37 N LIG 1 -6.827 -0.758 -1.502 0.00 0.00 -0.171 NA ATOM 38 C LIG 1 -5.450 1.989 1.178 0.00 0.00 +0.024 A ENDBRANCH 26 28 ENDBRANCH 22 26 ENDBRANCH 1 20 TORSDOF 5