REMARK Name = BDB022400 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.828 2.669 -0.417 0.00 0.00 -0.035 A ATOM 2 C LIG 1 0.555 2.076 -0.348 0.00 0.00 +0.013 A ATOM 3 C LIG 1 -0.212 1.845 -1.503 0.00 0.00 -0.018 A ATOM 4 C LIG 1 0.324 2.229 -2.741 0.00 0.00 +0.008 A ATOM 5 C LIG 1 1.585 2.822 -2.825 0.00 0.00 +0.001 A ATOM 6 C LIG 1 2.332 3.043 -1.670 0.00 0.00 +0.004 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -1.541 1.220 -1.416 0.00 0.00 -0.018 A ATOM 8 C LIG 1 -2.676 1.856 -1.942 0.00 0.00 +0.010 A ATOM 9 C LIG 1 -3.944 1.265 -1.861 0.00 0.00 +0.024 A ATOM 10 C LIG 1 -4.108 0.021 -1.254 0.00 0.00 +0.034 A ATOM 11 C LIG 1 -2.983 -0.621 -0.725 0.00 0.00 +0.024 A ATOM 12 C LIG 1 -1.717 -0.029 -0.805 0.00 0.00 +0.010 A BRANCH 10 13 ATOM 13 N LIG 1 -5.347 -0.641 -1.129 0.00 0.00 -0.282 N ATOM 14 H LIG 1 -5.318 -1.540 -0.669 0.00 0.00 +0.155 HD ATOM 15 C LIG 1 -6.569 -0.225 -1.606 0.00 0.00 +0.241 C ATOM 16 O LIG 1 -6.808 0.766 -2.285 0.00 0.00 -0.271 OA BRANCH 15 17 ATOM 17 C LIG 1 -7.696 -1.149 -1.296 0.00 0.00 +0.064 C ATOM 18 C LIG 1 -7.802 -1.901 -0.189 0.00 0.00 -0.007 C BRANCH 18 19 ATOM 19 C LIG 1 -8.987 -2.776 0.108 0.00 0.00 +0.111 C BRANCH 19 20 ATOM 20 N LIG 1 -9.537 -2.502 1.441 0.00 0.00 -0.305 NA ATOM 21 C LIG 1 -10.470 -3.562 1.828 0.00 0.00 +0.104 C ATOM 22 C LIG 1 -10.223 -1.206 1.484 0.00 0.00 +0.104 C ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 15 17 ENDBRANCH 10 13 ENDBRANCH 3 7 BRANCH 1 24 ATOM 23 C LIG 1 2.708 4.396 1.176 0.00 0.00 +0.022 C ATOM 24 C LIG 1 2.629 2.901 0.855 0.00 0.00 +0.102 C BRANCH 24 25 ATOM 25 C LIG 1 4.026 2.262 0.795 0.00 0.00 +0.225 C ATOM 26 N LIG 1 3.975 0.899 0.588 0.00 0.00 -0.268 N ATOM 27 H LIG 1 3.095 0.437 0.408 0.00 0.00 +0.156 HD ATOM 28 O LIG 1 5.052 2.918 0.955 0.00 0.00 -0.275 OA BRANCH 26 29 ATOM 29 C LIG 1 5.055 0.057 0.519 0.00 0.00 +0.147 A ATOM 30 N LIG 1 4.841 -1.238 0.281 0.00 0.00 -0.158 NA ATOM 31 N LIG 1 6.069 -1.777 0.272 0.00 0.00 -0.279 N ATOM 32 H LIG 1 6.151 -2.774 0.101 0.00 0.00 +0.189 HD ATOM 33 C LIG 1 7.078 -0.878 0.503 0.00 0.00 +0.043 A ATOM 34 C LIG 1 6.430 0.332 0.669 0.00 0.00 +0.068 A BRANCH 33 35 ATOM 35 C LIG 1 8.537 -1.276 0.539 0.00 0.00 +0.004 C ATOM 36 C LIG 1 8.948 -1.884 -0.816 0.00 0.00 +0.017 C ATOM 37 C LIG 1 9.437 -0.056 0.814 0.00 0.00 +0.017 C ATOM 38 C LIG 1 8.771 -2.311 1.655 0.00 0.00 +0.017 C ENDBRANCH 33 35 ENDBRANCH 26 29 ENDBRANCH 24 25 ENDBRANCH 1 24 TORSDOF 9