REMARK Name = BDB019141 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.182 -1.271 0.851 0.00 0.00 +0.099 A ATOM 2 C LIG 1 -0.580 -0.149 0.312 0.00 0.00 +0.086 A ATOM 3 N LIG 1 0.760 -0.280 0.628 0.00 0.00 -0.270 N ATOM 4 C LIG 1 1.740 0.672 0.275 0.00 0.00 +0.202 A ATOM 5 N LIG 1 1.379 1.732 -0.398 0.00 0.00 -0.223 NA ATOM 6 C LIG 1 0.046 1.882 -0.715 0.00 0.00 +0.125 A ATOM 7 C LIG 1 0.897 -1.466 1.303 0.00 0.00 +0.207 A ATOM 8 C LIG 1 -0.948 1.019 -0.412 0.00 0.00 +0.029 A ATOM 9 N LIG 1 -0.256 -2.074 1.472 0.00 0.00 -0.235 NA ENDROOT BRANCH 1 15 ATOM 10 C LIG 1 -6.763 -2.415 0.732 0.00 0.00 +0.065 C ATOM 11 C LIG 1 -5.289 -2.142 0.741 0.00 0.00 +0.039 A ATOM 12 N LIG 1 -4.724 -1.829 1.931 0.00 0.00 -0.256 NA ATOM 13 C LIG 1 -3.390 -1.563 1.961 0.00 0.00 +0.048 A ATOM 14 C LIG 1 -2.826 -1.222 3.311 0.00 0.00 +0.066 C ATOM 15 C LIG 1 -2.591 -1.593 0.814 0.00 0.00 +0.023 A ATOM 16 C LIG 1 -3.194 -1.946 -0.396 0.00 0.00 +0.013 A ATOM 17 C LIG 1 -4.558 -2.216 -0.437 0.00 0.00 +0.024 A ENDBRANCH 1 15 BRANCH 8 18 ATOM 18 C LIG 1 -2.311 1.372 -0.839 0.00 0.00 +0.025 A ATOM 19 C LIG 1 -2.791 1.224 -2.136 0.00 0.00 +0.050 A ATOM 20 C LIG 1 -1.935 0.679 -3.243 0.00 0.00 +0.066 C ATOM 21 N LIG 1 -4.056 1.563 -2.486 0.00 0.00 -0.237 NA ATOM 22 C LIG 1 -4.857 2.050 -1.519 0.00 0.00 +0.126 A ATOM 23 C LIG 1 -6.250 2.443 -1.900 0.00 0.00 +0.088 C ATOM 24 N LIG 1 -4.483 2.246 -0.244 0.00 0.00 -0.240 NA ATOM 25 C LIG 1 -3.220 1.890 0.066 0.00 0.00 +0.123 A ENDBRANCH 8 18 BRANCH 4 26 ATOM 26 N LIG 1 3.050 0.454 0.645 0.00 0.00 -0.310 N ATOM 27 H LIG 1 3.212 -0.128 1.459 0.00 0.00 +0.149 HD BRANCH 26 28 ATOM 28 C LIG 1 4.047 1.503 0.504 0.00 0.00 +0.143 C BRANCH 28 29 ATOM 29 C LIG 1 5.413 0.925 0.738 0.00 0.00 +0.012 A ATOM 30 C LIG 1 6.030 0.083 -0.182 0.00 0.00 +0.005 A ATOM 31 C LIG 1 5.532 -0.451 -1.473 0.00 0.00 +0.080 C ATOM 32 C LIG 1 6.838 -1.025 -2.023 0.00 0.00 +0.234 C ATOM 33 O LIG 1 7.738 -1.287 -0.922 0.00 0.00 -0.491 OA ATOM 34 C LIG 1 7.281 -0.464 0.074 0.00 0.00 +0.124 A ATOM 35 C LIG 1 7.971 -0.210 1.241 0.00 0.00 +0.049 A ATOM 36 C LIG 1 7.376 0.637 2.176 0.00 0.00 +0.042 A ATOM 37 C LIG 1 6.115 1.192 1.920 0.00 0.00 +0.129 A ATOM 38 F LIG 1 5.566 1.986 2.851 0.00 0.00 -0.205 F ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 4 26 TORSDOF 5