REMARK Name = BDB015073 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.716 1.668 2.459 0.00 0.00 +0.121 A ATOM 2 C LIG 1 0.417 1.937 1.687 0.00 0.00 +0.054 A ATOM 3 C LIG 1 1.707 1.874 2.247 0.00 0.00 -0.014 A ATOM 4 C LIG 1 1.832 1.537 3.604 0.00 0.00 +0.009 A ATOM 5 C LIG 1 0.705 1.271 4.380 0.00 0.00 +0.004 A ATOM 6 C LIG 1 -0.564 1.338 3.806 0.00 0.00 +0.045 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 2.898 2.153 1.427 0.00 0.00 -0.016 A ATOM 8 C LIG 1 3.895 1.170 1.270 0.00 0.00 +0.036 A ATOM 9 C LIG 1 5.005 1.475 0.469 0.00 0.00 +0.069 A ATOM 10 C LIG 1 5.156 2.707 -0.163 0.00 0.00 +0.089 A ATOM 11 N LIG 1 6.326 2.758 -0.880 0.00 0.00 -0.236 NA ATOM 12 C LIG 1 6.884 1.582 -0.708 0.00 0.00 +0.200 A ATOM 13 C LIG 1 4.168 3.687 -0.004 0.00 0.00 +0.030 A ATOM 14 N LIG 1 6.127 0.773 0.097 0.00 0.00 -0.326 N ATOM 15 C LIG 1 3.049 3.396 0.789 0.00 0.00 +0.011 A BRANCH 14 16 ATOM 16 C LIG 1 6.501 -0.566 0.515 0.00 0.00 +0.158 C BRANCH 16 17 ATOM 17 C LIG 1 6.303 -1.575 -0.589 0.00 0.00 -0.028 A ATOM 18 C LIG 1 5.012 -1.948 -0.994 0.00 0.00 +0.005 A ATOM 19 C LIG 1 4.833 -2.881 -2.017 0.00 0.00 +0.000 A ATOM 20 C LIG 1 5.938 -3.451 -2.644 0.00 0.00 +0.000 A ATOM 21 C LIG 1 7.225 -3.089 -2.250 0.00 0.00 +0.000 A ATOM 22 C LIG 1 7.408 -2.156 -1.228 0.00 0.00 +0.005 A ENDBRANCH 16 17 ENDBRANCH 14 16 ENDBRANCH 3 7 BRANCH 1 23 ATOM 23 O LIG 1 -2.012 1.698 2.023 0.00 0.00 -0.489 OA BRANCH 23 24 ATOM 24 C LIG 1 -2.227 1.962 0.629 0.00 0.00 +0.261 C BRANCH 24 25 ATOM 25 C LIG 1 -3.736 1.898 0.348 0.00 0.00 +0.166 C BRANCH 25 26 ATOM 26 O LIG 1 -4.405 2.869 1.171 0.00 0.00 -0.387 OA ATOM 27 H LIG 1 -4.031 2.762 2.067 0.00 0.00 +0.210 HD ENDBRANCH 25 26 BRANCH 25 28 ATOM 28 C LIG 1 -4.349 0.505 0.626 0.00 0.00 +0.119 C BRANCH 28 29 ATOM 29 N LIG 1 -3.766 -0.581 -0.183 0.00 0.00 -0.295 NA ATOM 30 C LIG 1 -4.249 -0.580 -1.578 0.00 0.00 +0.120 C ATOM 31 C LIG 1 -5.645 -1.132 -1.778 0.00 0.00 -0.030 A ATOM 32 C LIG 1 -6.224 -1.998 -0.832 0.00 0.00 -0.042 A ATOM 33 C LIG 1 -7.503 -2.523 -1.060 0.00 0.00 +0.004 A ATOM 34 C LIG 1 -8.194 -2.211 -2.229 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -7.617 -1.369 -3.177 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -5.500 -2.308 0.454 0.00 0.00 +0.051 C ATOM 37 C LIG 1 -6.347 -0.835 -2.955 0.00 0.00 +0.005 A ATOM 38 C LIG 1 -4.019 -1.906 0.410 0.00 0.00 +0.089 C ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 1 23 TORSDOF 9