REMARK Name = BDB011528 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.708 0.516 -2.330 0.00 0.00 +0.197 C ATOM 2 C LIG 1 -2.514 -0.403 -2.493 0.00 0.00 +0.244 C ATOM 3 O LIG 1 -2.724 -1.600 -2.727 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 -1.223 0.119 -2.423 0.00 0.00 -0.262 N ATOM 5 C LIG 1 -0.857 1.522 -2.450 0.00 0.00 +0.079 A ATOM 6 C LIG 1 -1.667 2.593 -2.882 0.00 0.00 +0.142 A ATOM 7 C LIG 1 -1.172 3.917 -2.867 0.00 0.00 +0.047 A ATOM 8 C LIG 1 0.111 4.221 -2.435 0.00 0.00 +0.004 A ATOM 9 C LIG 1 0.922 3.193 -2.001 0.00 0.00 +0.002 A ATOM 10 O LIG 1 -2.958 2.614 -3.324 0.00 0.00 -0.488 OA ATOM 11 C LIG 1 0.442 1.878 -2.012 0.00 0.00 +0.027 A ATOM 12 C LIG 1 -3.673 1.413 -3.549 0.00 0.00 +0.261 C ENDROOT BRANCH 1 14 ATOM 13 C LIG 1 -4.095 0.614 0.118 0.00 0.00 +0.230 C ATOM 14 N LIG 1 -3.725 1.232 -1.054 0.00 0.00 -0.300 N ATOM 15 H LIG 1 -3.262 2.131 -1.018 0.00 0.00 +0.150 HD ATOM 16 O LIG 1 -4.572 -0.519 0.135 0.00 0.00 -0.274 OA BRANCH 13 17 ATOM 17 C LIG 1 -3.917 1.481 1.393 0.00 0.00 +0.137 C ATOM 18 C LIG 1 -2.487 2.002 1.549 0.00 0.00 +0.034 C BRANCH 17 20 ATOM 19 C LIG 1 -3.509 -0.266 3.091 0.00 0.00 +0.101 C ATOM 20 N LIG 1 -4.416 0.762 2.592 0.00 0.00 -0.309 NA ATOM 21 H LIG 1 -5.284 0.294 2.313 0.00 0.00 +0.122 HD ENDBRANCH 17 20 ENDBRANCH 13 17 ENDBRANCH 1 14 BRANCH 4 22 ATOM 22 C LIG 1 -0.150 -0.901 -2.414 0.00 0.00 +0.149 C BRANCH 22 23 ATOM 23 C LIG 1 0.330 -1.316 -1.030 0.00 0.00 -0.021 A ATOM 24 C LIG 1 1.711 -1.422 -0.701 0.00 0.00 +0.005 A ATOM 25 C LIG 1 2.905 -1.178 -1.434 0.00 0.00 +0.028 A ATOM 26 C LIG 1 3.972 -1.413 -0.603 0.00 0.00 +0.092 A ATOM 27 N LIG 1 3.501 -1.830 0.624 0.00 0.00 -0.315 N ATOM 28 C LIG 1 2.103 -1.826 0.584 0.00 0.00 +0.054 A ATOM 29 C LIG 1 1.149 -2.095 1.583 0.00 0.00 +0.027 A ATOM 30 C LIG 1 -0.201 -2.028 1.251 0.00 0.00 +0.002 A ATOM 31 C LIG 1 -0.602 -1.662 -0.029 0.00 0.00 +0.006 A BRANCH 27 32 ATOM 32 C LIG 1 4.325 -2.254 1.708 0.00 0.00 +0.064 A ATOM 33 C LIG 1 5.491 -1.558 2.078 0.00 0.00 +0.076 A ATOM 34 C LIG 1 6.282 -2.055 3.129 0.00 0.00 +0.021 A ATOM 35 C LIG 1 5.924 -3.223 3.802 0.00 0.00 +0.001 A ATOM 36 C LIG 1 4.770 -3.908 3.435 0.00 0.00 +0.002 A ATOM 37 C LIG 1 3.973 -3.430 2.394 0.00 0.00 +0.027 A BRANCH 33 38 ATOM 38 C LIG 1 5.884 -0.304 1.498 0.00 0.00 +0.101 C ATOM 39 N LIG 1 6.221 0.709 1.040 0.00 0.00 -0.191 NA ENDBRANCH 33 38 ENDBRANCH 27 32 ENDBRANCH 22 23 ENDBRANCH 4 22 TORSDOF 7