REMARK Name = BDB031717 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.435 1.449 -2.214 0.00 0.00 -0.041 A ATOM 2 C LIG 1 3.447 1.903 -0.881 0.00 0.00 +0.031 A ATOM 3 C LIG 1 2.281 1.773 -0.117 0.00 0.00 +0.068 A ATOM 4 C LIG 1 1.097 1.248 -0.617 0.00 0.00 +0.041 A ATOM 5 C LIG 1 0.174 1.296 0.476 0.00 0.00 +0.154 A ATOM 6 N LIG 1 0.763 1.781 1.573 0.00 0.00 -0.157 NA ATOM 7 C LIG 1 1.066 0.830 -1.960 0.00 0.00 +0.014 A ATOM 8 N LIG 1 2.007 2.085 1.184 0.00 0.00 -0.275 N ATOM 9 H LIG 1 2.632 2.495 1.867 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 2.233 0.939 -2.734 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 5.766 -1.690 0.270 0.00 0.00 +0.120 A ATOM 12 C LIG 1 5.285 -1.011 -0.855 0.00 0.00 +0.052 A ATOM 13 C LIG 1 6.129 -0.131 -1.523 0.00 0.00 -0.007 A ATOM 14 C LIG 1 5.946 0.763 -2.719 0.00 0.00 +0.081 C ATOM 15 C LIG 1 4.684 1.531 -3.063 0.00 0.00 +0.040 C ATOM 16 C LIG 1 7.297 1.418 -2.896 0.00 0.00 +0.228 C ATOM 17 N LIG 1 8.116 0.941 -1.889 0.00 0.00 -0.284 N ATOM 18 H LIG 1 9.078 1.225 -1.788 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 7.583 2.217 -3.771 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 5.122 0.346 -3.902 0.00 0.00 +0.031 C ATOM 21 C LIG 1 7.448 0.028 -1.071 0.00 0.00 +0.038 A ATOM 22 C LIG 1 7.961 -0.643 0.018 0.00 0.00 +0.027 A ATOM 23 C LIG 1 7.099 -1.510 0.691 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 3.636 -2.589 0.818 0.00 0.00 +0.277 C ATOM 25 O LIG 1 5.042 -2.560 1.041 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 N LIG 1 -1.096 0.848 0.354 0.00 0.00 -0.279 N ATOM 27 H LIG 1 -1.420 0.548 -0.558 0.00 0.00 +0.155 HD BRANCH 26 28 ATOM 28 C LIG 1 -2.217 1.067 1.195 0.00 0.00 +0.171 A ATOM 29 C LIG 1 -3.367 0.312 0.948 0.00 0.00 +0.200 A ATOM 30 C LIG 1 -4.482 0.524 1.767 0.00 0.00 +0.169 A ATOM 31 N LIG 1 -4.415 1.376 2.807 0.00 0.00 -0.217 NA ATOM 32 C LIG 1 -3.258 2.030 2.982 0.00 0.00 +0.225 A ATOM 33 N LIG 1 -2.164 1.928 2.222 0.00 0.00 -0.217 NA BRANCH 30 34 ATOM 34 N LIG 1 -5.702 -0.159 1.513 0.00 0.00 -0.310 N ATOM 35 C LIG 1 -6.362 0.389 0.304 0.00 0.00 +0.134 C ATOM 36 C LIG 1 -7.293 -0.665 -0.310 0.00 0.00 +0.178 C ATOM 37 O LIG 1 -8.625 -0.699 0.199 0.00 0.00 -0.378 OA ATOM 38 C LIG 1 -8.804 -0.513 1.597 0.00 0.00 +0.161 C ATOM 39 C LIG 1 -7.753 -1.158 2.493 0.00 0.00 +0.047 C ATOM 40 C LIG 1 -6.553 -0.235 2.709 0.00 0.00 +0.109 C ENDBRANCH 30 34 BRANCH 29 41 ATOM 41 O LIG 1 -3.360 -0.566 -0.113 0.00 0.00 -0.489 OA ATOM 42 C LIG 1 -3.357 -1.915 0.364 0.00 0.00 +0.277 C ENDBRANCH 29 41 ENDBRANCH 26 28 ENDBRANCH 5 26 TORSDOF 6