REMARK Name = BDB024355 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.646 1.790 -0.189 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.431 3.209 -0.701 0.00 0.00 -0.021 A ATOM 3 C LIG 1 -0.836 4.200 0.103 0.00 0.00 +0.008 A ATOM 4 C LIG 1 -0.657 5.496 -0.385 0.00 0.00 +0.038 A ATOM 5 C LIG 1 -1.081 5.811 -1.669 0.00 0.00 +0.123 A ATOM 6 F LIG 1 -0.910 7.055 -2.134 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -1.687 4.856 -2.475 0.00 0.00 +0.038 A ATOM 8 C LIG 1 -1.867 3.559 -1.992 0.00 0.00 +0.008 A ENDBRANCH 1 2 BRANCH 1 11 ATOM 9 N LIG 1 0.582 0.802 -0.396 0.00 0.00 -0.269 N ATOM 10 H LIG 1 0.425 0.935 -1.387 0.00 0.00 +0.156 HD ATOM 11 C LIG 1 -0.365 1.239 0.505 0.00 0.00 +0.240 C ATOM 12 O LIG 1 -0.254 1.214 1.731 0.00 0.00 -0.273 OA BRANCH 9 16 ATOM 13 C LIG 1 4.343 -0.900 0.109 0.00 0.00 +0.003 A ATOM 14 C LIG 1 3.753 -0.599 -1.113 0.00 0.00 +0.121 A ATOM 15 N LIG 1 2.522 -0.043 -1.262 0.00 0.00 -0.240 NA ATOM 16 C LIG 1 1.829 0.236 -0.139 0.00 0.00 +0.125 A ATOM 17 C LIG 1 2.325 -0.031 1.127 0.00 0.00 +0.044 A ATOM 18 C LIG 1 3.595 -0.605 1.248 0.00 0.00 +0.013 A BRANCH 13 23 ATOM 19 C LIG 1 9.017 -2.271 -0.871 0.00 0.00 +0.172 C ATOM 20 N LIG 1 7.730 -2.091 -0.243 0.00 0.00 -0.274 N ATOM 21 N LIG 1 7.502 -2.635 0.965 0.00 0.00 -0.179 NA ATOM 22 C LIG 1 6.247 -2.271 1.240 0.00 0.00 +0.143 A ATOM 23 C LIG 1 5.660 -1.498 0.210 0.00 0.00 +0.021 A ATOM 24 C LIG 1 6.660 -1.402 -0.738 0.00 0.00 +0.116 A ENDBRANCH 13 23 ENDBRANCH 9 16 ENDBRANCH 1 11 BRANCH 1 25 ATOM 25 N LIG 1 -2.801 1.767 0.738 0.00 0.00 -0.302 NA ATOM 26 H LIG 1 -2.454 2.127 1.633 0.00 0.00 +0.123 HD BRANCH 25 27 ATOM 27 C LIG 1 -3.330 0.417 0.973 0.00 0.00 +0.086 C BRANCH 27 28 ATOM 28 C LIG 1 -4.227 -0.074 -0.173 0.00 0.00 +0.050 C BRANCH 28 29 ATOM 29 C LIG 1 -4.822 -1.430 0.128 0.00 0.00 -0.046 A ATOM 30 C LIG 1 -6.072 -1.532 0.752 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -6.616 -2.785 1.047 0.00 0.00 +0.019 A ATOM 32 C LIG 1 -5.912 -3.949 0.723 0.00 0.00 +0.052 A ATOM 33 C LIG 1 -4.662 -3.853 0.105 0.00 0.00 +0.019 A ATOM 34 C LIG 1 -4.119 -2.600 -0.189 0.00 0.00 +0.005 A BRANCH 32 35 ATOM 35 C LIG 1 -6.470 -5.235 1.024 0.00 0.00 +0.099 C ATOM 36 N LIG 1 -6.920 -6.276 1.267 0.00 0.00 -0.191 NA ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 9