REMARK Name = BDB026705 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.101 -3.068 -0.319 0.00 0.00 +0.039 A ATOM 2 C LIG 1 1.874 -3.089 -0.994 0.00 0.00 +0.043 A ATOM 3 C LIG 1 1.065 -1.944 -0.972 0.00 0.00 +0.091 A ATOM 4 N LIG 1 -0.176 -1.771 -1.512 0.00 0.00 -0.226 NA ATOM 5 C LIG 1 -0.524 -0.521 -1.241 0.00 0.00 +0.165 A ATOM 6 N LIG 1 0.460 0.122 -0.487 0.00 0.00 -0.291 N ATOM 7 C LIG 1 1.498 -0.794 -0.318 0.00 0.00 +0.074 A ATOM 8 C LIG 1 2.720 -0.762 0.379 0.00 0.00 +0.029 A ATOM 9 C LIG 1 3.518 -1.913 0.354 0.00 0.00 +0.015 A ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 0.412 1.443 0.048 0.00 0.00 +0.049 A ATOM 11 C LIG 1 -0.775 1.934 0.610 0.00 0.00 +0.031 A ATOM 12 C LIG 1 -0.825 3.237 1.122 0.00 0.00 -0.024 A ATOM 13 C LIG 1 -2.055 3.751 1.818 0.00 0.00 +0.046 C ATOM 14 C LIG 1 -2.172 5.260 1.685 0.00 0.00 +0.101 C ATOM 15 C LIG 1 -0.872 5.961 2.006 0.00 0.00 +0.218 C ATOM 16 N LIG 1 0.277 5.332 1.604 0.00 0.00 -0.285 N ATOM 17 H LIG 1 1.128 5.871 1.702 0.00 0.00 +0.155 HD ATOM 18 O LIG 1 -0.835 7.081 2.510 0.00 0.00 -0.275 OA ATOM 19 C LIG 1 0.320 4.038 1.080 0.00 0.00 +0.037 A ATOM 20 C LIG 1 1.509 3.549 0.543 0.00 0.00 +0.025 A ATOM 21 C LIG 1 1.555 2.254 0.021 0.00 0.00 +0.028 A ENDBRANCH 6 10 BRANCH 5 22 ATOM 22 C LIG 1 -1.723 0.120 -1.784 0.00 0.00 +0.119 A ATOM 23 C LIG 1 -3.028 -0.306 -1.542 0.00 0.00 +0.066 A ATOM 24 C LIG 1 -4.068 0.437 -2.121 0.00 0.00 +0.017 A ATOM 25 C LIG 1 -3.783 1.536 -2.927 0.00 0.00 +0.020 A ATOM 26 C LIG 1 -2.458 1.873 -3.122 0.00 0.00 +0.111 A ATOM 27 N LIG 1 -1.428 1.197 -2.570 0.00 0.00 -0.251 NA BRANCH 23 28 ATOM 28 C LIG 1 -3.425 -1.425 -0.650 0.00 0.00 +0.246 C ATOM 29 N LIG 1 -2.637 -2.548 -0.625 0.00 0.00 -0.314 N ATOM 30 H LIG 1 -1.812 -2.607 -1.223 0.00 0.00 +0.149 HD ATOM 31 C LIG 1 -2.981 -3.712 0.151 0.00 0.00 +0.128 C ATOM 32 O LIG 1 -4.458 -1.317 0.005 0.00 0.00 -0.270 OA ENDBRANCH 23 28 ENDBRANCH 5 22 BRANCH 1 36 ATOM 33 C LIG 1 5.509 -5.738 0.851 0.00 0.00 +0.128 C ATOM 34 N LIG 1 4.753 -4.515 0.739 0.00 0.00 -0.314 N ATOM 35 H LIG 1 4.575 -3.996 1.587 0.00 0.00 +0.149 HD ATOM 36 C LIG 1 3.938 -4.298 -0.354 0.00 0.00 +0.244 C ATOM 37 O LIG 1 3.854 -5.072 -1.300 0.00 0.00 -0.270 OA ENDBRANCH 1 36 TORSDOF 4