REMARK Name = BDB021624 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.313 0.509 -0.381 0.00 0.00 -0.027 A ATOM 2 C LIG 1 3.104 -0.794 0.091 0.00 0.00 +0.051 A ATOM 3 C LIG 1 1.897 -1.198 0.705 0.00 0.00 +0.133 A ATOM 4 O LIG 1 1.964 -2.510 1.071 0.00 0.00 -0.490 OA ATOM 5 C LIG 1 0.940 -3.030 1.900 0.00 0.00 +0.248 C ATOM 6 C LIG 1 -0.399 -2.991 1.190 0.00 0.00 +0.149 C ATOM 7 N LIG 1 -1.103 -1.754 1.492 0.00 0.00 -0.292 N ATOM 8 C LIG 1 -0.515 -0.495 1.426 0.00 0.00 +0.250 C ATOM 9 O LIG 1 -1.136 0.501 1.808 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 0.853 -0.279 0.850 0.00 0.00 +0.078 A ATOM 11 C LIG 1 1.077 1.040 0.392 0.00 0.00 +0.017 A ATOM 12 C LIG 1 2.279 1.429 -0.205 0.00 0.00 +0.006 A ENDROOT BRANCH 1 14 ATOM 13 C LIG 1 5.286 -0.135 -1.880 0.00 0.00 +0.029 C ATOM 14 C LIG 1 4.623 0.965 -1.025 0.00 0.00 +0.084 C BRANCH 14 15 ATOM 15 N LIG 1 5.450 1.661 -0.019 0.00 0.00 -0.294 NA ATOM 16 C LIG 1 6.218 0.763 0.871 0.00 0.00 +0.097 C ATOM 17 C LIG 1 7.476 1.295 0.260 0.00 0.00 +0.043 C ATOM 18 C LIG 1 8.583 1.793 1.126 0.00 0.00 +0.171 C ATOM 19 O LIG 1 9.521 0.893 0.464 0.00 0.00 -0.378 OA ATOM 20 C LIG 1 8.454 0.368 -0.379 0.00 0.00 +0.171 C ATOM 21 C LIG 1 6.686 2.251 -0.578 0.00 0.00 +0.097 C ENDBRANCH 14 15 ENDBRANCH 1 14 BRANCH 7 22 ATOM 22 C LIG 1 -2.535 -1.857 1.816 0.00 0.00 +0.140 C BRANCH 22 23 ATOM 23 C LIG 1 -3.449 -2.257 0.634 0.00 0.00 +0.146 C BRANCH 23 24 ATOM 24 O LIG 1 -3.148 -3.606 0.231 0.00 0.00 -0.389 OA ATOM 25 H LIG 1 -3.791 -3.851 -0.457 0.00 0.00 +0.210 HD ENDBRANCH 23 24 BRANCH 23 26 ATOM 26 C LIG 1 -3.388 -1.318 -0.601 0.00 0.00 +0.117 C BRANCH 26 27 ATOM 27 N LIG 1 -4.372 -0.231 -0.721 0.00 0.00 -0.295 NA ATOM 28 C LIG 1 -5.747 -0.711 -0.915 0.00 0.00 +0.120 C ATOM 29 C LIG 1 -6.774 0.401 -1.000 0.00 0.00 -0.030 A ATOM 30 C LIG 1 -6.488 1.688 -0.512 0.00 0.00 -0.042 A ATOM 31 C LIG 1 -7.466 2.689 -0.574 0.00 0.00 +0.004 A ATOM 32 C LIG 1 -8.730 2.409 -1.092 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -9.023 1.130 -1.559 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -5.110 2.006 0.010 0.00 0.00 +0.051 C ATOM 35 C LIG 1 -8.052 0.130 -1.511 0.00 0.00 +0.005 A ATOM 36 C LIG 1 -4.306 0.749 0.367 0.00 0.00 +0.089 C ENDBRANCH 26 27 ENDBRANCH 23 26 ENDBRANCH 22 23 ENDBRANCH 7 22 TORSDOF 7