REMARK Name = BDB019426 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.984 3.453 -0.578 0.00 0.00 +0.164 C ATOM 2 N LIG 1 -1.444 2.111 -0.200 0.00 0.00 -0.286 N ATOM 3 C LIG 1 -1.079 0.993 -0.927 0.00 0.00 +0.237 C ATOM 4 O LIG 1 -0.211 1.097 -1.799 0.00 0.00 -0.274 OA ATOM 5 C LIG 1 -2.387 2.187 0.908 0.00 0.00 +0.140 C ATOM 6 C LIG 1 -2.339 3.642 1.379 0.00 0.00 +0.134 C ATOM 7 C LIG 1 -1.989 4.387 0.095 0.00 0.00 +0.065 C ENDROOT BRANCH 1 10 ATOM 8 N LIG 1 1.411 2.948 -0.724 0.00 0.00 -0.310 N ATOM 9 H LIG 1 1.083 2.235 -1.377 0.00 0.00 +0.149 HD ATOM 10 C LIG 1 0.459 3.705 -0.076 0.00 0.00 +0.234 C ATOM 11 O LIG 1 0.732 4.511 0.817 0.00 0.00 -0.274 OA BRANCH 8 12 ATOM 12 C LIG 1 2.820 3.029 -0.444 0.00 0.00 +0.139 C BRANCH 12 16 ATOM 13 C LIG 1 4.457 -0.850 0.521 0.00 0.00 +0.000 A ATOM 14 C LIG 1 3.758 -0.116 1.486 0.00 0.00 +0.010 A ATOM 15 C LIG 1 3.225 1.137 1.170 0.00 0.00 +0.006 A ATOM 16 C LIG 1 3.386 1.674 -0.114 0.00 0.00 -0.030 A ATOM 17 C LIG 1 4.059 0.920 -1.088 0.00 0.00 +0.006 A ATOM 18 C LIG 1 4.594 -0.331 -0.770 0.00 0.00 +0.010 A BRANCH 13 21 ATOM 19 C LIG 1 3.404 -3.885 -0.124 0.00 0.00 +0.068 C ATOM 20 C LIG 1 4.621 -3.431 0.590 0.00 0.00 +0.064 A ATOM 21 C LIG 1 5.045 -2.138 0.858 0.00 0.00 +0.071 A ATOM 22 N LIG 1 6.233 -2.307 1.538 0.00 0.00 -0.333 N ATOM 23 C LIG 1 7.107 -1.264 2.019 0.00 0.00 +0.150 C ATOM 24 C LIG 1 6.463 -3.646 1.665 0.00 0.00 +0.199 A ATOM 25 N LIG 1 5.508 -4.352 1.104 0.00 0.00 -0.240 NA ENDBRANCH 13 21 ENDBRANCH 12 16 ENDBRANCH 8 12 ENDBRANCH 1 10 BRANCH 6 26 ATOM 26 O LIG 1 -3.586 4.088 1.886 0.00 0.00 -0.390 OA ATOM 27 H LIG 1 -3.677 3.743 2.789 0.00 0.00 +0.210 HD ENDBRANCH 6 26 BRANCH 3 28 ATOM 28 C LIG 1 -1.653 -0.395 -0.497 0.00 0.00 +0.165 C BRANCH 28 29 ATOM 29 N LIG 1 -3.119 -0.417 -0.434 0.00 0.00 -0.281 N ATOM 30 C LIG 1 -3.938 -0.038 -1.490 0.00 0.00 +0.248 C ATOM 31 O LIG 1 -3.637 0.559 -2.510 0.00 0.00 -0.270 OA ATOM 32 C LIG 1 -5.294 -0.483 -1.151 0.00 0.00 +0.042 A ATOM 33 C LIG 1 -5.236 -1.172 0.061 0.00 0.00 -0.018 A ATOM 34 C LIG 1 -6.386 -1.705 0.617 0.00 0.00 +0.006 A ATOM 35 C LIG 1 -7.593 -1.528 -0.070 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -7.635 -0.830 -1.294 0.00 0.00 +0.001 A ATOM 37 C LIG 1 -6.471 -0.296 -1.850 0.00 0.00 +0.013 A ATOM 38 C LIG 1 -3.829 -1.219 0.551 0.00 0.00 +0.144 C ENDBRANCH 28 29 BRANCH 28 39 ATOM 39 C LIG 1 -1.073 -1.623 -1.251 0.00 0.00 +0.012 C ATOM 40 C LIG 1 0.429 -1.796 -0.989 0.00 0.00 +0.009 C ATOM 41 C LIG 1 -1.355 -1.659 -2.753 0.00 0.00 +0.009 C ENDBRANCH 28 39 ENDBRANCH 3 28 TORSDOF 8