REMARK Name = BDB017473 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.783 -1.875 -1.308 0.00 0.00 -0.041 A ATOM 2 C LIG 1 2.527 -3.113 -0.690 0.00 0.00 +0.031 A ATOM 3 C LIG 1 1.290 -3.312 -0.064 0.00 0.00 +0.067 A ATOM 4 C LIG 1 0.284 -2.354 -0.039 0.00 0.00 +0.027 A ATOM 5 C LIG 1 -0.788 -2.966 0.685 0.00 0.00 +0.093 A ATOM 6 N LIG 1 -0.448 -4.191 1.111 0.00 0.00 -0.173 NA ATOM 7 C LIG 1 0.533 -1.115 -0.660 0.00 0.00 +0.012 A ATOM 8 N LIG 1 0.787 -4.378 0.627 0.00 0.00 -0.276 N ATOM 9 H LIG 1 1.246 -5.262 0.815 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 1.770 -0.903 -1.290 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 4.279 1.256 1.825 0.00 0.00 +0.120 A ATOM 12 C LIG 1 4.317 0.182 0.923 0.00 0.00 +0.052 A ATOM 13 C LIG 1 4.856 0.370 -0.341 0.00 0.00 -0.007 A ATOM 14 C LIG 1 5.057 -0.533 -1.525 0.00 0.00 +0.081 C ATOM 15 C LIG 1 4.097 -1.603 -2.003 0.00 0.00 +0.040 C ATOM 16 C LIG 1 5.757 0.344 -2.538 0.00 0.00 +0.228 C ATOM 17 N LIG 1 5.890 1.598 -1.969 0.00 0.00 -0.284 N ATOM 18 H LIG 1 6.333 2.368 -2.445 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 6.125 -0.011 -3.646 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 5.416 -1.981 -1.359 0.00 0.00 +0.031 C ATOM 21 C LIG 1 5.370 1.632 -0.674 0.00 0.00 +0.038 A ATOM 22 C LIG 1 5.353 2.709 0.187 0.00 0.00 +0.027 A ATOM 23 C LIG 1 4.795 2.511 1.454 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 3.602 2.008 3.981 0.00 0.00 +0.277 C ATOM 25 O LIG 1 3.720 0.951 3.037 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 C LIG 1 -2.070 -2.405 0.992 0.00 0.00 +0.031 C ATOM 27 C LIG 1 -2.783 -1.573 0.213 0.00 0.00 +0.010 C BRANCH 27 28 ATOM 28 C LIG 1 -4.072 -1.016 0.505 0.00 0.00 -0.018 A ATOM 29 C LIG 1 -4.824 -0.242 -0.434 0.00 0.00 +0.020 A ATOM 30 C LIG 1 -6.032 0.199 0.075 0.00 0.00 +0.004 A ATOM 31 S LIG 1 -6.259 -0.336 1.687 0.00 0.00 -0.100 S ATOM 32 C LIG 1 -4.746 -1.137 1.702 0.00 0.00 +0.053 A BRANCH 30 33 ATOM 33 C LIG 1 -7.089 1.019 -0.614 0.00 0.00 +0.126 C BRANCH 33 34 ATOM 34 N LIG 1 -7.114 2.423 -0.165 0.00 0.00 -0.304 NA ATOM 35 C LIG 1 -5.923 3.156 -0.595 0.00 0.00 +0.104 C ATOM 36 C LIG 1 -8.316 3.087 -0.669 0.00 0.00 +0.104 C ENDBRANCH 33 34 ENDBRANCH 30 33 ENDBRANCH 27 28 ENDBRANCH 5 26 TORSDOF 6