REMARK Name = BDB022651 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.616 -0.388 4.294 0.00 0.00 +0.139 C ENDROOT BRANCH 1 4 ATOM 2 C LIG 1 2.520 -2.308 1.592 0.00 0.00 +0.034 A ATOM 3 C LIG 1 2.041 -1.272 2.397 0.00 0.00 +0.028 A ATOM 4 C LIG 1 1.152 -1.529 3.458 0.00 0.00 -0.029 A ATOM 5 C LIG 1 0.764 -2.851 3.717 0.00 0.00 +0.005 A ATOM 6 C LIG 1 1.238 -3.890 2.920 0.00 0.00 +0.002 A ATOM 7 C LIG 1 2.107 -3.619 1.863 0.00 0.00 +0.023 A BRANCH 2 9 ATOM 8 C LIG 1 3.952 -0.943 0.045 0.00 0.00 +0.250 C ATOM 9 N LIG 1 3.407 -2.128 0.509 0.00 0.00 -0.281 N ATOM 10 H LIG 1 3.613 -2.967 -0.016 0.00 0.00 +0.155 HD ATOM 11 O LIG 1 3.706 0.186 0.458 0.00 0.00 -0.270 OA BRANCH 8 13 ATOM 12 C LIG 1 4.973 -0.083 -2.107 0.00 0.00 +0.046 A ATOM 13 C LIG 1 4.897 -1.085 -1.111 0.00 0.00 +0.058 A ATOM 14 C LIG 1 5.723 -2.222 -1.194 0.00 0.00 +0.015 A ATOM 15 C LIG 1 6.580 -2.396 -2.280 0.00 0.00 +0.001 A ATOM 16 C LIG 1 6.627 -1.433 -3.281 0.00 0.00 +0.002 A ATOM 17 C LIG 1 5.836 -0.284 -3.193 0.00 0.00 +0.024 A BRANCH 12 19 ATOM 18 C LIG 1 4.093 2.152 -2.841 0.00 0.00 +0.241 C ATOM 19 N LIG 1 4.207 1.102 -1.964 0.00 0.00 -0.281 N ATOM 20 H LIG 1 3.708 1.175 -1.077 0.00 0.00 +0.155 HD ATOM 21 O LIG 1 4.512 2.209 -3.992 0.00 0.00 -0.271 OA BRANCH 18 23 ATOM 22 C LIG 1 3.262 3.694 -1.037 0.00 0.00 +0.013 C ATOM 23 C LIG 1 3.314 3.310 -2.320 0.00 0.00 +0.060 C ENDBRANCH 18 23 ENDBRANCH 12 19 ENDBRANCH 8 13 ENDBRANCH 2 9 ENDBRANCH 1 4 BRANCH 1 24 ATOM 24 N LIG 1 -0.832 -0.291 4.199 0.00 0.00 -0.309 N ATOM 25 H LIG 1 -1.302 -0.995 4.754 0.00 0.00 +0.149 HD BRANCH 24 26 ATOM 26 C LIG 1 -1.514 -0.098 3.010 0.00 0.00 +0.221 A ATOM 27 N LIG 1 -1.047 0.728 1.974 0.00 0.00 -0.183 N ATOM 28 C LIG 1 -1.750 0.837 0.806 0.00 0.00 +0.166 A ATOM 29 C LIG 1 -1.012 1.669 -0.011 0.00 0.00 +0.019 A ATOM 30 C LIG 1 0.097 2.035 0.792 0.00 0.00 +0.141 A ATOM 31 N LIG 1 -2.921 0.171 0.653 0.00 0.00 -0.195 NA ATOM 32 C LIG 1 -3.334 -0.564 1.649 0.00 0.00 +0.220 A ATOM 33 N LIG 1 0.067 1.494 2.013 0.00 0.00 -0.170 NA ATOM 34 N LIG 1 -2.654 -0.714 2.840 0.00 0.00 -0.181 NA BRANCH 29 35 ATOM 35 C LIG 1 -1.322 2.070 -1.420 0.00 0.00 +0.018 C ATOM 36 C LIG 1 -1.286 3.588 -1.606 0.00 0.00 +0.012 C ATOM 37 C LIG 1 -0.381 1.385 -2.414 0.00 0.00 +0.012 C ENDBRANCH 29 35 BRANCH 32 38 ATOM 38 N LIG 1 -4.507 -1.262 1.590 0.00 0.00 -0.310 N ATOM 39 H LIG 1 -4.786 -1.607 2.500 0.00 0.00 +0.149 HD BRANCH 38 40 ATOM 40 C LIG 1 -5.593 -1.027 0.651 0.00 0.00 +0.077 C ATOM 41 C LIG 1 -6.133 0.398 0.747 0.00 0.00 +0.050 C ATOM 42 C LIG 1 -7.281 0.609 -0.236 0.00 0.00 +0.161 C ATOM 43 O LIG 1 -7.207 -0.225 -1.393 0.00 0.00 -0.380 OA ATOM 44 C LIG 1 -5.868 -0.492 -1.798 0.00 0.00 +0.161 C ATOM 45 C LIG 1 -5.208 -1.414 -0.782 0.00 0.00 +0.050 C ENDBRANCH 38 40 ENDBRANCH 32 38 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 10