REMARK Name = BDB024373 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.623 1.411 -0.192 0.00 0.00 +0.171 C ENDROOT BRANCH 1 5 ATOM 2 C LIG 1 -3.987 -0.940 1.244 0.00 0.00 -0.047 A ATOM 3 C LIG 1 -4.142 -0.042 0.182 0.00 0.00 +0.004 A ATOM 4 C LIG 1 -3.058 0.711 -0.276 0.00 0.00 +0.006 A ATOM 5 C LIG 1 -1.793 0.578 0.316 0.00 0.00 -0.022 A ATOM 6 C LIG 1 -1.642 -0.330 1.377 0.00 0.00 +0.006 A ATOM 7 C LIG 1 -2.727 -1.082 1.834 0.00 0.00 +0.004 A BRANCH 2 8 ATOM 8 C LIG 1 -5.155 -1.768 1.722 0.00 0.00 +0.035 C BRANCH 8 9 ATOM 9 C LIG 1 -5.315 -3.046 0.894 0.00 0.00 +0.005 C BRANCH 9 10 ATOM 10 C LIG 1 -6.423 -3.968 1.412 0.00 0.00 +0.000 C BRANCH 10 11 ATOM 11 C LIG 1 -7.832 -3.364 1.437 0.00 0.00 -0.000 C BRANCH 11 13 ATOM 12 C LIG 1 -8.431 -3.885 -0.988 0.00 0.00 +0.004 C ATOM 13 C LIG 1 -8.345 -2.825 0.099 0.00 0.00 -0.003 C ENDBRANCH 11 13 ENDBRANCH 10 11 ENDBRANCH 9 10 ENDBRANCH 8 9 ENDBRANCH 2 8 ENDBRANCH 1 5 BRANCH 1 14 ATOM 14 C LIG 1 0.462 0.495 -0.826 0.00 0.00 +0.240 C ATOM 15 N LIG 1 1.519 0.260 0.025 0.00 0.00 -0.269 N ATOM 16 H LIG 1 1.503 0.775 0.900 0.00 0.00 +0.156 HD ATOM 17 O LIG 1 0.336 0.044 -1.962 0.00 0.00 -0.273 OA BRANCH 15 18 ATOM 18 C LIG 1 2.652 -0.518 -0.170 0.00 0.00 +0.125 A ATOM 19 N LIG 1 3.532 -0.459 0.851 0.00 0.00 -0.240 NA ATOM 20 C LIG 1 4.668 -1.195 0.741 0.00 0.00 +0.121 A ATOM 21 C LIG 1 4.986 -2.001 -0.347 0.00 0.00 +0.003 A ATOM 22 C LIG 1 4.053 -2.044 -1.382 0.00 0.00 +0.013 A ATOM 23 C LIG 1 2.874 -1.296 -1.296 0.00 0.00 +0.044 A BRANCH 21 24 ATOM 24 C LIG 1 6.215 -2.769 -0.412 0.00 0.00 +0.021 A ATOM 25 C LIG 1 7.386 -2.467 0.254 0.00 0.00 +0.116 A ATOM 26 N LIG 1 8.289 -3.430 -0.096 0.00 0.00 -0.274 N ATOM 27 C LIG 1 9.661 -3.535 0.337 0.00 0.00 +0.172 C ATOM 28 N LIG 1 7.792 -4.345 -0.945 0.00 0.00 -0.179 NA ATOM 29 C LIG 1 6.534 -3.941 -1.139 0.00 0.00 +0.143 A ENDBRANCH 21 24 ENDBRANCH 15 18 ENDBRANCH 1 14 BRANCH 1 30 ATOM 30 N LIG 1 -0.050 2.236 0.917 0.00 0.00 -0.302 NA ATOM 31 H LIG 1 -0.810 2.394 1.584 0.00 0.00 +0.123 HD BRANCH 30 32 ATOM 32 C LIG 1 0.392 3.567 0.461 0.00 0.00 +0.086 C BRANCH 32 33 ATOM 33 C LIG 1 1.643 3.566 -0.431 0.00 0.00 +0.050 C BRANCH 33 34 ATOM 34 C LIG 1 2.075 4.973 -0.777 0.00 0.00 -0.046 A ATOM 35 C LIG 1 1.600 5.596 -1.939 0.00 0.00 +0.005 A ATOM 36 C LIG 1 1.986 6.902 -2.249 0.00 0.00 +0.019 A ATOM 37 C LIG 1 2.847 7.601 -1.398 0.00 0.00 +0.052 A ATOM 38 C LIG 1 3.321 6.986 -0.235 0.00 0.00 +0.019 A ATOM 39 C LIG 1 2.936 5.679 0.074 0.00 0.00 +0.005 A BRANCH 37 40 ATOM 40 C LIG 1 3.241 8.942 -1.714 0.00 0.00 +0.099 C ATOM 41 N LIG 1 3.557 10.030 -1.968 0.00 0.00 -0.191 NA ENDBRANCH 37 40 ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 30 32 ENDBRANCH 1 30 TORSDOF 14