REMARK Name = BDB037641 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.098 1.899 -0.081 0.00 0.00 -0.255 N ATOM 2 C LIG 1 -0.936 0.940 -0.152 0.00 0.00 +0.130 A ATOM 3 C LIG 1 -0.705 -0.428 -0.070 0.00 0.00 +0.030 A ATOM 4 C LIG 1 -1.961 -1.080 -0.176 0.00 0.00 +0.153 A ATOM 5 N LIG 1 -2.926 -0.157 -0.276 0.00 0.00 -0.164 NA ATOM 6 C LIG 1 0.663 -1.013 0.086 0.00 0.00 +0.057 C ATOM 7 C LIG 1 1.639 -0.034 -0.598 0.00 0.00 +0.167 C ATOM 8 N LIG 1 -2.308 1.050 -0.272 0.00 0.00 -0.246 N ATOM 9 C LIG 1 1.427 1.394 -0.040 0.00 0.00 +0.242 C ATOM 10 O LIG 1 2.379 2.067 0.370 0.00 0.00 -0.273 OA ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -2.213 -2.543 -0.155 0.00 0.00 +0.268 C ATOM 12 N LIG 1 -3.512 -3.022 -0.289 0.00 0.00 -0.277 N ATOM 13 C LIG 1 -4.731 -2.287 -0.459 0.00 0.00 +0.081 C ATOM 14 C LIG 1 -5.881 -3.236 -0.238 0.00 0.00 +0.014 C ATOM 15 C LIG 1 -5.289 -4.581 0.104 0.00 0.00 +0.043 C ATOM 16 C LIG 1 -5.696 -2.046 0.663 0.00 0.00 +0.028 C ATOM 17 C LIG 1 -3.786 -4.467 -0.250 0.00 0.00 +0.180 C ATOM 18 O LIG 1 -1.286 -3.343 -0.006 0.00 0.00 -0.268 OA BRANCH 17 19 ATOM 19 C LIG 1 -3.510 -5.104 -1.555 0.00 0.00 +0.085 C ATOM 20 N LIG 1 -3.328 -5.618 -2.581 0.00 0.00 -0.195 NA ENDBRANCH 17 19 ENDBRANCH 4 11 BRANCH 8 21 ATOM 21 C LIG 1 -3.225 2.175 -0.428 0.00 0.00 +0.114 C ATOM 22 C LIG 1 -2.933 3.077 -1.628 0.00 0.00 +0.055 C ATOM 23 C LIG 1 -3.846 4.291 -1.626 0.00 0.00 +0.162 C ATOM 24 O LIG 1 -3.807 4.935 -0.355 0.00 0.00 -0.380 OA ATOM 25 C LIG 1 -4.374 4.124 0.671 0.00 0.00 +0.162 C ATOM 26 C LIG 1 -3.528 2.883 0.898 0.00 0.00 +0.055 C ENDBRANCH 8 21 BRANCH 7 27 ATOM 27 N LIG 1 3.041 -0.432 -0.473 0.00 0.00 -0.299 N ATOM 28 H LIG 1 3.451 -0.345 0.454 0.00 0.00 +0.150 HD ATOM 29 C LIG 1 3.917 -0.329 -1.529 0.00 0.00 +0.248 C ATOM 30 O LIG 1 3.548 -0.139 -2.684 0.00 0.00 -0.270 OA BRANCH 29 31 ATOM 31 C LIG 1 5.370 -0.462 -1.218 0.00 0.00 +0.079 A ATOM 32 C LIG 1 5.881 -0.659 0.059 0.00 0.00 +0.136 A ATOM 33 O LIG 1 5.146 -0.744 1.220 0.00 0.00 -0.491 OA ATOM 34 C LIG 1 6.091 -1.234 2.200 0.00 0.00 +0.234 C ATOM 35 C LIG 1 7.504 -0.887 1.742 0.00 0.00 +0.080 C ATOM 36 C LIG 1 7.250 -0.764 0.288 0.00 0.00 -0.002 A ATOM 37 C LIG 1 8.163 -0.682 -0.749 0.00 0.00 +0.007 A ATOM 38 C LIG 1 7.674 -0.499 -2.043 0.00 0.00 +0.001 A ATOM 39 C LIG 1 6.292 -0.388 -2.276 0.00 0.00 +0.017 A ENDBRANCH 29 31 ENDBRANCH 7 27 BRANCH 6 40 ATOM 40 C LIG 1 1.107 -1.375 1.498 0.00 0.00 -0.001 C ATOM 41 C LIG 1 0.974 -0.433 2.673 0.00 0.00 +0.004 C ATOM 42 C LIG 1 0.150 -1.689 2.626 0.00 0.00 +0.004 C ENDBRANCH 6 40 BRANCH 1 44 ATOM 43 C LIG 1 0.621 4.208 -0.867 0.00 0.00 +0.025 C ATOM 44 C LIG 1 -0.018 3.324 0.203 0.00 0.00 +0.112 C ENDBRANCH 1 44 TORSDOF 7