REMARK Name = BDB006665 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.388 -1.136 2.229 0.00 0.00 +0.068 C ATOM 2 C LIG 1 -5.065 -0.307 1.045 0.00 0.00 +0.066 A ATOM 3 C LIG 1 -3.812 0.063 0.543 0.00 0.00 +0.030 A ATOM 4 C LIG 1 -2.360 -0.043 0.754 0.00 0.00 +0.147 C ATOM 5 N LIG 1 -1.830 0.782 -0.384 0.00 0.00 -0.238 N ATOM 6 C LIG 1 -2.900 1.280 -1.199 0.00 0.00 +0.271 C ATOM 7 O LIG 1 -2.861 1.942 -2.220 0.00 0.00 -0.268 OA ATOM 8 C LIG 1 -4.073 0.814 -0.561 0.00 0.00 +0.130 A ATOM 9 N LIG 1 -5.407 0.881 -0.702 0.00 0.00 -0.256 N ATOM 10 N LIG 1 -6.050 0.195 0.273 0.00 0.00 -0.175 NA ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 -0.498 1.111 -0.584 0.00 0.00 +0.151 A ATOM 12 N LIG 1 -0.178 1.849 -1.597 0.00 0.00 -0.148 NA ATOM 13 N LIG 1 1.149 2.118 -1.705 0.00 0.00 -0.194 N ATOM 14 C LIG 1 2.164 1.682 -0.883 0.00 0.00 +0.199 A ATOM 15 N LIG 1 3.291 2.263 -1.248 0.00 0.00 -0.126 NA ATOM 16 N LIG 1 3.033 3.036 -2.359 0.00 0.00 -0.132 NA ATOM 17 C LIG 1 1.806 0.827 0.197 0.00 0.00 +0.088 A ATOM 18 C LIG 1 1.749 2.933 -2.633 0.00 0.00 +0.152 A ATOM 19 C LIG 1 1.007 3.588 -3.730 0.00 0.00 +0.090 C ATOM 20 C LIG 1 0.499 0.580 0.399 0.00 0.00 +0.073 A BRANCH 17 21 ATOM 21 N LIG 1 2.805 0.327 1.037 0.00 0.00 -0.237 N ATOM 22 C LIG 1 3.986 -0.212 0.496 0.00 0.00 +0.408 C ATOM 23 O LIG 1 4.160 -0.444 -0.694 0.00 0.00 -0.226 OA ATOM 24 C LIG 1 2.550 0.167 2.464 0.00 0.00 +0.142 C BRANCH 22 25 ATOM 25 O LIG 1 4.893 -0.524 1.462 0.00 0.00 -0.444 OA BRANCH 25 26 ATOM 26 C LIG 1 6.188 -1.083 1.119 0.00 0.00 +0.107 C ATOM 27 C LIG 1 6.905 -1.250 2.468 0.00 0.00 +0.055 C ATOM 28 C LIG 1 7.003 -0.117 0.251 0.00 0.00 +0.055 C ATOM 29 C LIG 1 6.046 -2.463 0.469 0.00 0.00 +0.055 C ENDBRANCH 25 26 ENDBRANCH 22 25 ENDBRANCH 17 21 ENDBRANCH 5 11 BRANCH 4 30 ATOM 30 C LIG 1 -2.031 -1.522 0.679 0.00 0.00 -0.022 A ATOM 31 C LIG 1 -1.872 -2.250 1.874 0.00 0.00 +0.007 A ATOM 32 C LIG 1 -1.565 -3.613 1.846 0.00 0.00 +0.020 A ATOM 33 C LIG 1 -1.416 -4.265 0.625 0.00 0.00 +0.041 A ATOM 34 CL LIG 1 -1.037 -5.942 0.593 0.00 0.00 -0.084 Cl ATOM 35 C LIG 1 -1.574 -3.566 -0.569 0.00 0.00 +0.020 A ATOM 36 C LIG 1 -1.883 -2.203 -0.543 0.00 0.00 +0.007 A ENDBRANCH 4 30 BRANCH 9 37 ATOM 37 C LIG 1 -6.114 1.589 -1.784 0.00 0.00 +0.108 C ATOM 38 C LIG 1 -7.358 2.408 -1.532 0.00 0.00 +0.029 C ATOM 39 C LIG 1 -6.080 3.094 -1.913 0.00 0.00 +0.029 C ENDBRANCH 9 37 TORSDOF 6