REMARK Name = BDB061354 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.062 -0.822 0.827 0.00 0.00 +0.035 A ATOM 2 C LIG 1 5.852 0.359 0.110 0.00 0.00 +0.027 A ATOM 3 C LIG 1 4.562 0.674 -0.296 0.00 0.00 -0.038 A ATOM 4 C LIG 1 4.128 1.857 -1.106 0.00 0.00 +0.040 C ATOM 5 C LIG 1 2.609 1.858 -0.874 0.00 0.00 +0.067 C ATOM 6 C LIG 1 2.220 0.396 -0.603 0.00 0.00 +0.216 C ATOM 7 C LIG 1 0.979 0.270 0.239 0.00 0.00 +0.273 C ATOM 8 O LIG 1 0.811 0.662 1.384 0.00 0.00 -0.270 OA ATOM 9 N LIG 1 0.067 -0.374 -0.529 0.00 0.00 -0.195 N ATOM 10 C LIG 1 0.583 -0.669 -1.741 0.00 0.00 +0.411 C ATOM 11 O LIG 1 0.002 -1.236 -2.654 0.00 0.00 -0.226 OA ATOM 12 O LIG 1 1.886 -0.276 -1.817 0.00 0.00 -0.429 OA ATOM 13 C LIG 1 3.481 -0.169 -0.017 0.00 0.00 +0.008 A ATOM 14 C LIG 1 3.675 -1.352 0.675 0.00 0.00 +0.010 A ATOM 15 C LIG 1 4.970 -1.671 1.099 0.00 0.00 +0.024 A ENDROOT BRANCH 1 20 ATOM 16 C LIG 1 10.888 -0.763 1.723 0.00 0.00 +0.129 C ATOM 17 N LIG 1 9.554 -1.313 1.708 0.00 0.00 -0.302 N ATOM 18 H LIG 1 9.481 -2.285 1.447 0.00 0.00 +0.150 HD ATOM 19 C LIG 1 8.505 -0.522 1.272 0.00 0.00 +0.304 C ATOM 20 N LIG 1 7.328 -1.240 1.282 0.00 0.00 -0.269 N ATOM 21 H LIG 1 7.358 -2.096 1.815 0.00 0.00 +0.156 HD ATOM 22 O LIG 1 8.652 0.648 0.949 0.00 0.00 -0.253 OA ENDBRANCH 1 20 BRANCH 9 23 ATOM 23 C LIG 1 -1.316 -0.573 -0.156 0.00 0.00 +0.215 C BRANCH 23 24 ATOM 24 C LIG 1 -2.109 0.694 -0.502 0.00 0.00 +0.234 C ATOM 25 N LIG 1 -3.431 0.792 -0.061 0.00 0.00 -0.292 N ATOM 26 C LIG 1 -4.077 -0.172 0.859 0.00 0.00 +0.080 C ATOM 27 C LIG 1 -5.256 0.429 1.652 0.00 0.00 +0.027 C ATOM 28 C LIG 1 -6.575 0.593 0.891 0.00 0.00 +0.037 C ATOM 29 C LIG 1 -6.558 1.134 -0.517 0.00 0.00 -0.040 A ATOM 30 C LIG 1 -5.457 1.755 -1.122 0.00 0.00 -0.009 A ATOM 31 C LIG 1 -5.595 2.165 -2.451 0.00 0.00 +0.116 A ATOM 32 N LIG 1 -6.719 2.029 -3.188 0.00 0.00 -0.263 NA ATOM 33 C LIG 1 -7.768 1.450 -2.579 0.00 0.00 +0.111 A ATOM 34 C LIG 1 -7.736 0.996 -1.270 0.00 0.00 +0.023 A ATOM 35 C LIG 1 -4.156 2.014 -0.419 0.00 0.00 +0.145 C ATOM 36 O LIG 1 -1.579 1.590 -1.169 0.00 0.00 -0.274 OA BRANCH 26 37 ATOM 37 C LIG 1 -4.468 -1.433 0.113 0.00 0.00 +0.010 C ATOM 38 C LIG 1 -5.160 -2.578 0.823 0.00 0.00 +0.006 C ATOM 39 C LIG 1 -3.751 -2.746 0.350 0.00 0.00 +0.006 C ENDBRANCH 26 37 ENDBRANCH 23 24 ENDBRANCH 9 23 TORSDOF 4