REMARK Name = BDB021578 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.781 -1.174 -0.424 0.00 0.00 +0.124 A ATOM 2 C LIG 1 -2.136 -2.402 -0.581 0.00 0.00 +0.092 A ATOM 3 C LIG 1 -0.901 -2.534 -1.249 0.00 0.00 +0.136 A ATOM 4 O LIG 1 -0.501 -3.838 -1.262 0.00 0.00 -0.490 OA ATOM 5 C LIG 1 0.593 -4.208 -2.083 0.00 0.00 +0.248 C ATOM 6 C LIG 1 1.856 -3.500 -1.639 0.00 0.00 +0.149 C ATOM 7 N LIG 1 2.020 -2.264 -2.385 0.00 0.00 -0.292 N ATOM 8 C LIG 1 1.039 -1.282 -2.477 0.00 0.00 +0.250 C ATOM 9 O LIG 1 1.256 -0.256 -3.127 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 -0.277 -1.393 -1.765 0.00 0.00 +0.079 A ATOM 11 C LIG 1 -0.947 -0.156 -1.604 0.00 0.00 +0.020 A ATOM 12 C LIG 1 -2.178 -0.044 -0.946 0.00 0.00 +0.046 A ENDROOT BRANCH 1 13 ATOM 13 O LIG 1 -3.969 -1.238 0.243 0.00 0.00 -0.489 OA BRANCH 13 19 ATOM 14 C LIG 1 -5.877 3.303 2.518 0.00 0.00 +0.109 C ATOM 15 C LIG 1 -6.065 2.892 1.082 0.00 0.00 +0.213 C ATOM 16 N LIG 1 -6.705 1.691 0.872 0.00 0.00 -0.295 N ATOM 17 C LIG 1 -6.839 0.590 1.808 0.00 0.00 +0.080 C ATOM 18 C LIG 1 -5.565 -0.271 1.746 0.00 0.00 +0.067 C ATOM 19 C LIG 1 -4.721 -0.040 0.470 0.00 0.00 +0.177 C ATOM 20 C LIG 1 -5.549 0.330 -0.780 0.00 0.00 +0.067 C ATOM 21 C LIG 1 -8.036 -0.175 1.230 0.00 0.00 +0.024 C ATOM 22 C LIG 1 -8.018 0.148 -0.269 0.00 0.00 +0.024 C ATOM 23 C LIG 1 -6.835 1.107 -0.450 0.00 0.00 +0.080 C ATOM 24 O LIG 1 -5.661 3.595 0.159 0.00 0.00 -0.276 OA ENDBRANCH 13 19 ENDBRANCH 1 13 BRANCH 7 25 ATOM 25 C LIG 1 3.316 -2.015 -3.030 0.00 0.00 +0.140 C BRANCH 25 26 ATOM 26 C LIG 1 4.194 -0.958 -2.336 0.00 0.00 +0.146 C BRANCH 26 27 ATOM 27 O LIG 1 5.485 -0.951 -2.967 0.00 0.00 -0.389 OA ATOM 28 H LIG 1 6.077 -0.521 -2.314 0.00 0.00 +0.210 HD ENDBRANCH 26 27 BRANCH 26 29 ATOM 29 C LIG 1 4.395 -1.240 -0.831 0.00 0.00 +0.117 C BRANCH 29 30 ATOM 30 N LIG 1 5.421 -0.352 -0.229 0.00 0.00 -0.295 NA ATOM 31 C LIG 1 4.931 1.044 -0.141 0.00 0.00 +0.120 C ATOM 32 C LIG 1 5.838 1.962 0.653 0.00 0.00 -0.030 A ATOM 33 C LIG 1 6.779 1.447 1.560 0.00 0.00 -0.042 A ATOM 34 C LIG 1 7.586 2.321 2.300 0.00 0.00 +0.004 A ATOM 35 C LIG 1 7.443 3.701 2.161 0.00 0.00 +0.000 A ATOM 36 C LIG 1 6.498 4.216 1.277 0.00 0.00 +0.000 A ATOM 37 C LIG 1 6.961 -0.043 1.686 0.00 0.00 +0.051 C ATOM 38 C LIG 1 5.697 3.353 0.529 0.00 0.00 +0.005 A ATOM 39 C LIG 1 5.769 -0.827 1.123 0.00 0.00 +0.089 C ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 25 26 ENDBRANCH 7 25 TORSDOF 7