REMARK Name = BDB017456 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.039 0.325 1.373 0.00 0.00 -0.041 A ATOM 2 C LIG 1 -3.561 0.980 2.524 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -2.182 1.180 2.661 0.00 0.00 +0.067 A ATOM 4 C LIG 1 -1.251 0.746 1.726 0.00 0.00 +0.027 A ATOM 5 C LIG 1 0.021 1.137 2.256 0.00 0.00 +0.100 A ATOM 6 N LIG 1 -0.125 1.792 3.421 0.00 0.00 -0.173 NA ATOM 7 C LIG 1 -1.722 0.093 0.573 0.00 0.00 +0.012 A ATOM 8 N LIG 1 -1.449 1.797 3.634 0.00 0.00 -0.276 N ATOM 9 H LIG 1 -1.796 2.248 4.471 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 -3.103 -0.111 0.420 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 -8.902 -1.638 -1.543 0.00 0.00 +0.120 A ATOM 12 C LIG 1 -8.125 -1.112 -0.502 0.00 0.00 +0.052 A ATOM 13 C LIG 1 -7.261 -0.060 -0.779 0.00 0.00 -0.007 A ATOM 14 C LIG 1 -6.300 0.724 0.071 0.00 0.00 +0.081 C ATOM 15 C LIG 1 -5.511 0.049 1.175 0.00 0.00 +0.040 C ATOM 16 C LIG 1 -5.727 1.754 -0.877 0.00 0.00 +0.228 C ATOM 17 N LIG 1 -6.275 1.503 -2.124 0.00 0.00 -0.284 N ATOM 18 H LIG 1 -6.063 2.068 -2.932 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 -4.960 2.655 -0.583 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 -6.568 1.083 1.504 0.00 0.00 +0.031 C ATOM 21 C LIG 1 -7.189 0.449 -2.084 0.00 0.00 +0.038 A ATOM 22 C LIG 1 -7.939 -0.043 -3.129 0.00 0.00 +0.027 A ATOM 23 C LIG 1 -8.803 -1.102 -2.843 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 -9.938 -3.261 -0.144 0.00 0.00 +0.277 C ATOM 25 O LIG 1 -9.794 -2.670 -1.429 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 C LIG 1 1.350 0.912 1.687 0.00 0.00 +0.003 A ATOM 27 C LIG 1 1.689 -0.307 1.095 0.00 0.00 +0.012 A ATOM 28 C LIG 1 2.967 -0.507 0.551 0.00 0.00 +0.024 A ATOM 29 C LIG 1 3.953 0.491 0.589 0.00 0.00 +0.030 A ATOM 30 C LIG 1 3.592 1.708 1.192 0.00 0.00 +0.024 A ATOM 31 C LIG 1 2.318 1.917 1.738 0.00 0.00 +0.012 A BRANCH 29 32 ATOM 32 N LIG 1 5.236 0.322 0.048 0.00 0.00 -0.330 N ATOM 33 C LIG 1 6.338 0.747 0.933 0.00 0.00 +0.106 C ATOM 34 C LIG 1 7.678 0.130 0.527 0.00 0.00 +0.038 C ATOM 35 C LIG 1 7.849 0.213 -0.993 0.00 0.00 +0.059 C ATOM 36 C LIG 1 6.723 -0.557 -1.712 0.00 0.00 +0.038 C ATOM 37 C LIG 1 5.502 -0.819 -0.827 0.00 0.00 +0.106 C BRANCH 35 38 ATOM 38 N LIG 1 9.227 -0.110 -1.431 0.00 0.00 -0.305 NA ATOM 39 C LIG 1 9.672 -1.464 -1.113 0.00 0.00 +0.104 C ATOM 40 C LIG 1 9.433 0.179 -2.851 0.00 0.00 +0.104 C ENDBRANCH 35 38 ENDBRANCH 29 32 ENDBRANCH 5 26 TORSDOF 5