REMARK Name = BDB037776 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.556 -1.249 -1.433 0.00 0.00 -0.255 N ATOM 2 C LIG 1 -0.504 -0.716 -0.688 0.00 0.00 +0.130 A ATOM 3 C LIG 1 -0.391 0.394 0.129 0.00 0.00 +0.030 A ATOM 4 C LIG 1 -1.687 0.650 0.654 0.00 0.00 +0.153 A ATOM 5 N LIG 1 -2.552 -0.259 0.172 0.00 0.00 -0.164 NA ATOM 6 C LIG 1 0.905 1.125 0.302 0.00 0.00 +0.057 C ATOM 7 C LIG 1 2.027 0.067 0.154 0.00 0.00 +0.167 C ATOM 8 N LIG 1 -1.821 -1.099 -0.594 0.00 0.00 -0.246 N ATOM 9 C LIG 1 1.849 -0.760 -1.146 0.00 0.00 +0.242 C ATOM 10 O LIG 1 2.833 -1.032 -1.845 0.00 0.00 -0.273 OA ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -2.073 1.716 1.605 0.00 0.00 +0.268 C ATOM 12 N LIG 1 -3.406 2.100 1.691 0.00 0.00 -0.277 N ATOM 13 C LIG 1 -4.511 1.680 0.879 0.00 0.00 +0.081 C ATOM 14 C LIG 1 -5.619 2.688 1.042 0.00 0.00 +0.014 C ATOM 15 C LIG 1 -5.116 3.755 1.982 0.00 0.00 +0.043 C ATOM 16 C LIG 1 -4.987 2.464 -0.306 0.00 0.00 +0.028 C ATOM 17 C LIG 1 -3.818 3.180 2.601 0.00 0.00 +0.180 C ATOM 18 O LIG 1 -1.228 2.280 2.303 0.00 0.00 -0.268 OA BRANCH 17 19 ATOM 19 C LIG 1 -4.074 2.663 3.962 0.00 0.00 +0.085 C ATOM 20 N LIG 1 -4.308 2.271 5.031 0.00 0.00 -0.195 NA ENDBRANCH 17 19 ENDBRANCH 4 11 BRANCH 8 21 ATOM 21 C LIG 1 -2.508 -2.280 -1.101 0.00 0.00 +0.114 C ATOM 22 C LIG 1 -3.250 -3.050 -0.000 0.00 0.00 +0.055 C ATOM 23 C LIG 1 -3.874 -4.319 -0.575 0.00 0.00 +0.162 C ATOM 24 O LIG 1 -4.125 -4.227 -1.979 0.00 0.00 -0.380 OA ATOM 25 C LIG 1 -4.597 -2.940 -2.364 0.00 0.00 +0.162 C ATOM 26 C LIG 1 -3.466 -1.927 -2.249 0.00 0.00 +0.055 C ENDBRANCH 8 21 BRANCH 7 27 ATOM 27 N LIG 1 3.386 0.611 0.171 0.00 0.00 -0.303 N ATOM 28 H LIG 1 3.998 0.276 -0.569 0.00 0.00 +0.149 HD ATOM 29 C LIG 1 3.966 1.053 1.336 0.00 0.00 +0.218 C ATOM 30 O LIG 1 3.354 1.147 2.396 0.00 0.00 -0.275 OA BRANCH 29 31 ATOM 31 C LIG 1 5.427 1.441 1.198 0.00 0.00 +0.130 C BRANCH 31 32 ATOM 32 C LIG 1 6.335 0.245 1.055 0.00 0.00 -0.039 A ATOM 33 C LIG 1 6.997 -0.012 -0.153 0.00 0.00 +0.004 A ATOM 34 C LIG 1 7.825 -1.128 -0.281 0.00 0.00 +0.000 A ATOM 35 C LIG 1 8.000 -1.996 0.795 0.00 0.00 +0.000 A ATOM 36 C LIG 1 7.348 -1.749 2.001 0.00 0.00 +0.000 A ATOM 37 C LIG 1 6.519 -0.634 2.132 0.00 0.00 +0.004 A ENDBRANCH 31 32 ENDBRANCH 29 31 ENDBRANCH 7 27 BRANCH 6 38 ATOM 38 C LIG 1 1.061 2.258 -0.705 0.00 0.00 -0.001 C ATOM 39 C LIG 1 0.396 3.595 -0.475 0.00 0.00 +0.004 C ATOM 40 C LIG 1 1.888 3.476 -0.371 0.00 0.00 +0.004 C ENDBRANCH 6 38 BRANCH 1 42 ATOM 41 C LIG 1 0.841 -3.579 -2.220 0.00 0.00 +0.025 C ATOM 42 C LIG 1 0.444 -2.152 -2.573 0.00 0.00 +0.112 C ENDBRANCH 1 42 TORSDOF 8