REMARK Name = BDB031709 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.690 0.443 -2.243 0.00 0.00 -0.041 A ATOM 2 C LIG 1 -1.790 -0.599 -1.946 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -0.523 -0.271 -1.450 0.00 0.00 +0.068 A ATOM 4 C LIG 1 -0.094 1.035 -1.261 0.00 0.00 +0.041 A ATOM 5 C LIG 1 1.235 0.921 -0.741 0.00 0.00 +0.153 A ATOM 6 N LIG 1 1.591 -0.361 -0.616 0.00 0.00 -0.157 NA ATOM 7 C LIG 1 -0.973 2.082 -1.591 0.00 0.00 +0.014 A ATOM 8 N LIG 1 0.527 -1.050 -1.055 0.00 0.00 -0.275 N ATOM 9 H LIG 1 0.578 -2.062 -1.055 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 -2.252 1.768 -2.078 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 -4.102 -1.417 1.756 0.00 0.00 +0.120 A ATOM 12 C LIG 1 -4.149 -0.654 0.584 0.00 0.00 +0.052 A ATOM 13 C LIG 1 -4.857 -1.140 -0.509 0.00 0.00 -0.007 A ATOM 14 C LIG 1 -5.095 -0.615 -1.897 0.00 0.00 +0.081 C ATOM 15 C LIG 1 -4.082 0.132 -2.744 0.00 0.00 +0.040 C ATOM 16 C LIG 1 -5.984 -1.657 -2.537 0.00 0.00 +0.228 C ATOM 17 N LIG 1 -6.185 -2.651 -1.596 0.00 0.00 -0.284 N ATOM 18 H LIG 1 -6.752 -3.466 -1.777 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 -6.424 -1.608 -3.673 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 -5.289 0.849 -2.169 0.00 0.00 +0.031 C ATOM 21 C LIG 1 -5.531 -2.366 -0.396 0.00 0.00 +0.038 A ATOM 22 C LIG 1 -5.524 -3.132 0.749 0.00 0.00 +0.027 A ATOM 23 C LIG 1 -4.795 -2.641 1.833 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 -2.558 0.049 2.817 0.00 0.00 +0.277 C ATOM 25 O LIG 1 -3.423 -1.079 2.897 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 N LIG 1 1.972 2.011 -0.435 0.00 0.00 -0.282 N ATOM 27 H LIG 1 1.591 2.935 -0.601 0.00 0.00 +0.155 HD BRANCH 26 28 ATOM 28 C LIG 1 3.258 2.175 0.080 0.00 0.00 +0.129 A ATOM 29 N LIG 1 3.644 3.456 0.221 0.00 0.00 -0.220 NA ATOM 30 C LIG 1 4.871 3.658 0.717 0.00 0.00 +0.225 A ATOM 31 N LIG 1 5.745 2.716 1.079 0.00 0.00 -0.221 NA ATOM 32 C LIG 1 5.346 1.442 0.925 0.00 0.00 +0.126 A ATOM 33 C LIG 1 4.091 1.133 0.431 0.00 0.00 +0.087 A BRANCH 32 34 ATOM 34 N LIG 1 6.229 0.414 1.309 0.00 0.00 -0.310 N ATOM 35 C LIG 1 6.348 -0.884 0.707 0.00 0.00 +0.139 C ATOM 36 C LIG 1 7.741 -0.972 1.361 0.00 0.00 +0.149 C ATOM 37 C LIG 1 7.651 0.566 1.423 0.00 0.00 +0.139 C BRANCH 36 38 ATOM 38 O LIG 1 8.801 -1.542 0.561 0.00 0.00 -0.389 OA ATOM 39 H LIG 1 9.614 -1.353 1.059 0.00 0.00 +0.210 HD ENDBRANCH 36 38 ENDBRANCH 32 34 ENDBRANCH 26 28 ENDBRANCH 5 26 TORSDOF 6