REMARK Name = BDB006534 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.259 -2.834 -0.433 0.00 0.00 +0.046 C ATOM 2 C LIG 1 -0.446 -1.804 0.381 0.00 0.00 -0.022 A ATOM 3 C LIG 1 0.098 -0.566 0.847 0.00 0.00 +0.004 A ATOM 4 C LIG 1 -0.906 0.101 1.552 0.00 0.00 +0.050 A ATOM 5 C LIG 1 -0.695 1.368 2.124 0.00 0.00 +0.027 A ATOM 6 C LIG 1 0.566 1.956 1.986 0.00 0.00 +0.015 A ATOM 7 C LIG 1 1.593 1.303 1.304 0.00 0.00 +0.037 A ATOM 8 N LIG 1 -2.030 -0.709 1.519 0.00 0.00 -0.339 N ATOM 9 C LIG 1 1.364 0.049 0.718 0.00 0.00 +0.023 A ATOM 10 C LIG 1 -1.759 -1.871 0.823 0.00 0.00 +0.020 A ATOM 11 C LIG 1 -2.772 -2.945 0.606 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 2.913 1.984 1.199 0.00 0.00 +0.245 C ATOM 13 N LIG 1 4.016 1.163 1.103 0.00 0.00 -0.305 N ATOM 14 H LIG 1 3.910 0.172 1.271 0.00 0.00 +0.150 HD ATOM 15 O LIG 1 2.984 3.207 1.233 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 5.366 1.701 1.063 0.00 0.00 +0.102 C ATOM 17 C LIG 1 5.828 2.139 2.458 0.00 0.00 +0.033 C BRANCH 16 18 ATOM 18 C LIG 1 6.290 0.688 0.428 0.00 0.00 -0.009 A ATOM 19 C LIG 1 6.648 0.814 -0.909 0.00 0.00 +0.116 A ATOM 20 N LIG 1 7.452 -0.049 -1.573 0.00 0.00 -0.259 NA ATOM 21 C LIG 1 7.946 -1.117 -0.901 0.00 0.00 +0.044 A ATOM 22 C LIG 1 7.617 -1.329 0.438 0.00 0.00 +0.024 A ATOM 23 C LIG 1 6.786 -0.428 1.104 0.00 0.00 +0.009 A BRANCH 21 24 ATOM 24 C LIG 1 8.838 -2.087 -1.639 0.00 0.00 +0.038 C ATOM 25 C LIG 1 9.950 -1.567 -2.521 0.00 0.00 +0.010 C ATOM 26 C LIG 1 10.284 -2.252 -1.231 0.00 0.00 +0.010 C ENDBRANCH 21 24 ENDBRANCH 16 18 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 27 ATOM 27 C LIG 1 -3.302 -0.390 2.170 0.00 0.00 +0.157 C BRANCH 27 28 ATOM 28 C LIG 1 -4.390 0.012 1.201 0.00 0.00 -0.028 A ATOM 29 C LIG 1 -5.688 -0.492 1.367 0.00 0.00 +0.006 A ATOM 30 C LIG 1 -6.719 -0.112 0.501 0.00 0.00 +0.009 A ATOM 31 C LIG 1 -6.484 0.786 -0.552 0.00 0.00 -0.017 A ATOM 32 C LIG 1 -5.190 1.305 -0.700 0.00 0.00 +0.009 A ATOM 33 C LIG 1 -4.159 0.928 0.166 0.00 0.00 +0.006 A BRANCH 31 34 ATOM 34 C LIG 1 -7.571 1.174 -1.468 0.00 0.00 -0.004 A ATOM 35 C LIG 1 -7.533 0.955 -2.861 0.00 0.00 +0.067 A ATOM 36 C LIG 1 -8.578 1.401 -3.688 0.00 0.00 +0.015 A ATOM 37 C LIG 1 -9.686 2.042 -3.139 0.00 0.00 +0.001 A ATOM 38 C LIG 1 -9.751 2.249 -1.765 0.00 0.00 +0.001 A ATOM 39 C LIG 1 -8.705 1.824 -0.941 0.00 0.00 +0.009 A BRANCH 35 40 ATOM 40 C LIG 1 -6.415 0.269 -3.553 0.00 0.00 +0.337 C ATOM 41 O LIG 1 -5.886 0.722 -4.554 0.00 0.00 -0.245 OA BRANCH 40 42 ATOM 42 O LIG 1 -6.115 -0.939 -3.034 0.00 0.00 -0.477 OA ATOM 43 H LIG 1 -6.617 -1.171 -2.231 0.00 0.00 +0.295 HD ENDBRANCH 40 42 ENDBRANCH 35 40 ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 8 27 TORSDOF 9