REMARK Name = BDB024285 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.467 -0.255 0.127 0.00 0.00 +0.173 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.766 -1.739 -0.053 0.00 0.00 -0.003 A ATOM 3 C LIG 1 -1.572 -2.397 -1.282 0.00 0.00 +0.046 A ATOM 4 CL LIG 1 -0.991 -1.571 -2.688 0.00 0.00 -0.083 Cl ATOM 5 C LIG 1 -1.830 -3.766 -1.414 0.00 0.00 +0.020 A ATOM 6 C LIG 1 -2.276 -4.506 -0.322 0.00 0.00 +0.001 A ATOM 7 C LIG 1 -2.460 -3.881 0.906 0.00 0.00 +0.000 A ATOM 8 C LIG 1 -2.203 -2.514 1.040 0.00 0.00 +0.007 A ENDBRANCH 1 2 BRANCH 1 11 ATOM 9 N LIG 1 0.956 -0.147 -0.226 0.00 0.00 -0.269 N ATOM 10 H LIG 1 0.714 -0.364 -1.186 0.00 0.00 +0.156 HD ATOM 11 C LIG 1 -0.041 -0.062 0.721 0.00 0.00 +0.240 C ATOM 12 O LIG 1 0.125 0.155 1.921 0.00 0.00 -0.273 OA BRANCH 9 16 ATOM 13 C LIG 1 5.094 0.187 0.035 0.00 0.00 +0.003 A ATOM 14 C LIG 1 4.379 -0.079 -1.128 0.00 0.00 +0.121 A ATOM 15 N LIG 1 3.026 -0.183 -1.197 0.00 0.00 -0.240 NA ATOM 16 C LIG 1 2.332 -0.021 -0.052 0.00 0.00 +0.125 A ATOM 17 C LIG 1 2.950 0.245 1.159 0.00 0.00 +0.044 A ATOM 18 C LIG 1 4.344 0.348 1.200 0.00 0.00 +0.013 A BRANCH 13 23 ATOM 19 C LIG 1 9.818 0.876 -1.339 0.00 0.00 +0.172 C ATOM 20 N LIG 1 8.626 0.598 -0.576 0.00 0.00 -0.274 N ATOM 21 N LIG 1 8.731 0.301 0.731 0.00 0.00 -0.179 NA ATOM 22 C LIG 1 7.465 0.113 1.111 0.00 0.00 +0.143 A ATOM 23 C LIG 1 6.541 0.284 0.053 0.00 0.00 +0.021 A ATOM 24 C LIG 1 7.338 0.602 -1.030 0.00 0.00 +0.116 A ENDBRANCH 13 23 ENDBRANCH 9 16 ENDBRANCH 1 11 BRANCH 1 25 ATOM 25 N LIG 1 -2.467 0.400 1.015 0.00 0.00 -0.302 NA ATOM 26 H LIG 1 -2.109 0.293 1.971 0.00 0.00 +0.123 HD BRANCH 25 27 ATOM 27 C LIG 1 -2.614 1.839 0.755 0.00 0.00 +0.086 C BRANCH 27 28 ATOM 28 C LIG 1 -3.478 2.176 -0.473 0.00 0.00 +0.050 C BRANCH 28 29 ATOM 29 C LIG 1 -4.932 1.793 -0.318 0.00 0.00 -0.046 A ATOM 30 C LIG 1 -5.365 0.502 -0.651 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -6.705 0.140 -0.496 0.00 0.00 +0.019 A ATOM 32 C LIG 1 -7.628 1.066 -0.004 0.00 0.00 +0.052 A ATOM 33 C LIG 1 -7.204 2.355 0.335 0.00 0.00 +0.019 A ATOM 34 C LIG 1 -5.862 2.715 0.180 0.00 0.00 +0.005 A BRANCH 32 35 ATOM 35 C LIG 1 -9.004 0.696 0.157 0.00 0.00 +0.099 C ATOM 36 N LIG 1 -10.118 0.399 0.287 0.00 0.00 -0.191 NA ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 9