REMARK Name = BDB057717 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.012 -2.859 0.095 0.00 0.00 +0.160 A ATOM 2 C LIG 1 0.428 -2.735 0.190 0.00 0.00 +0.178 A ATOM 3 N LIG 1 1.008 -1.498 0.056 0.00 0.00 -0.295 N ATOM 4 C LIG 1 2.366 -1.689 0.187 0.00 0.00 +0.076 A ATOM 5 C LIG 1 2.508 -3.048 0.415 0.00 0.00 +0.140 A ATOM 6 C LIG 1 0.205 -0.391 -0.154 0.00 0.00 +0.117 A ATOM 7 C LIG 1 -1.133 -0.552 -0.221 0.00 0.00 +0.063 A ATOM 8 N LIG 1 1.297 -3.694 0.425 0.00 0.00 -0.232 NA ATOM 9 N LIG 1 -1.750 -1.791 -0.093 0.00 0.00 -0.232 NA ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 -2.060 0.634 -0.441 0.00 0.00 +0.043 C ATOM 11 C LIG 1 -2.820 0.527 -1.792 0.00 0.00 +0.032 C ATOM 12 C LIG 1 -3.988 1.531 -1.879 0.00 0.00 +0.077 C ATOM 13 N LIG 1 -4.859 1.286 -0.745 0.00 0.00 -0.289 N ATOM 14 C LIG 1 -4.164 1.820 0.417 0.00 0.00 +0.077 C ATOM 15 C LIG 1 -3.632 3.161 -0.112 0.00 0.00 +0.024 C ATOM 16 C LIG 1 -5.834 0.297 -0.797 0.00 0.00 +0.284 C ATOM 17 O LIG 1 -6.153 -0.203 -1.879 0.00 0.00 -0.267 OA ATOM 18 C LIG 1 -3.525 2.971 -1.635 0.00 0.00 +0.024 C ATOM 19 C LIG 1 -3.019 0.848 0.762 0.00 0.00 +0.032 C BRANCH 16 20 ATOM 20 C LIG 1 -6.491 -0.146 0.416 0.00 0.00 +0.217 A ATOM 21 N LIG 1 -7.469 -1.110 0.428 0.00 0.00 -0.324 N ATOM 22 H LIG 1 -7.820 -1.590 -0.389 0.00 0.00 +0.168 HD ATOM 23 C LIG 1 -7.841 -1.268 1.724 0.00 0.00 +0.222 A ATOM 24 N LIG 1 -7.141 -0.457 2.480 0.00 0.00 -0.138 NA ATOM 25 N LIG 1 -6.291 0.249 1.657 0.00 0.00 -0.125 NA ENDBRANCH 16 20 ENDBRANCH 7 10 BRANCH 4 26 ATOM 26 C LIG 1 3.526 -0.661 0.110 0.00 0.00 +0.038 A ATOM 27 C LIG 1 4.857 -0.972 0.265 0.00 0.00 +0.124 A ATOM 28 N LIG 1 5.572 0.202 0.129 0.00 0.00 -0.239 N ATOM 29 N LIG 1 4.740 1.251 -0.109 0.00 0.00 -0.174 NA ATOM 30 C LIG 1 3.517 0.720 -0.119 0.00 0.00 +0.144 A BRANCH 28 31 ATOM 31 C LIG 1 6.981 0.388 0.210 0.00 0.00 +0.065 A ATOM 32 C LIG 1 7.516 1.674 0.041 0.00 0.00 +0.028 A ATOM 33 C LIG 1 8.896 1.880 0.116 0.00 0.00 +0.002 A ATOM 34 C LIG 1 9.749 0.806 0.360 0.00 0.00 +0.000 A ATOM 35 C LIG 1 9.225 -0.475 0.528 0.00 0.00 +0.002 A ATOM 36 C LIG 1 7.845 -0.689 0.454 0.00 0.00 +0.028 A ENDBRANCH 28 31 ENDBRANCH 4 26 BRANCH 1 37 ATOM 37 N LIG 1 -1.650 -4.065 0.220 0.00 0.00 -0.340 N ATOM 38 H LIG 1 -2.611 -3.970 0.521 0.00 0.00 +0.144 HD ATOM 39 H LIG 1 -1.112 -4.763 0.724 0.00 0.00 +0.144 HD ENDBRANCH 1 37 TORSDOF 5