REMARK Name = BDB031132 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.101 -2.320 -0.828 0.00 0.00 +0.129 A ATOM 2 N LIG 1 -1.491 -2.864 -2.028 0.00 0.00 -0.346 N ATOM 3 H LIG 1 -2.414 -3.220 -2.237 0.00 0.00 +0.167 HD ATOM 4 C LIG 1 -0.428 -2.813 -2.880 0.00 0.00 +0.117 A ATOM 5 C LIG 1 0.601 -2.216 -2.175 0.00 0.00 +0.143 A ATOM 6 N LIG 1 0.155 -1.924 -0.894 0.00 0.00 -0.226 NA ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 1.958 -1.977 -2.704 0.00 0.00 +0.266 C ATOM 8 N LIG 1 2.837 -1.160 -1.983 0.00 0.00 -0.296 N ATOM 9 C LIG 1 4.224 -1.061 -2.428 0.00 0.00 +0.112 C ATOM 10 C LIG 1 5.170 -0.962 -1.238 0.00 0.00 +0.063 C ATOM 11 C LIG 1 4.854 0.250 -0.346 0.00 0.00 +0.176 C ATOM 12 C LIG 1 3.441 0.795 -0.583 0.00 0.00 +0.063 C ATOM 13 C LIG 1 2.441 -0.321 -0.852 0.00 0.00 +0.112 C ATOM 14 O LIG 1 2.303 -2.506 -3.763 0.00 0.00 -0.268 OA BRANCH 11 15 ATOM 15 O LIG 1 5.815 1.268 -0.664 0.00 0.00 -0.489 OA BRANCH 15 16 ATOM 16 C LIG 1 6.162 2.188 0.283 0.00 0.00 +0.121 A ATOM 17 C LIG 1 5.620 2.313 1.562 0.00 0.00 +0.045 A ATOM 18 C LIG 1 6.077 3.314 2.426 0.00 0.00 +0.004 A ATOM 19 C LIG 1 7.077 4.195 2.017 0.00 0.00 +0.000 A ATOM 20 C LIG 1 7.621 4.077 0.741 0.00 0.00 +0.004 A ATOM 21 C LIG 1 7.162 3.079 -0.120 0.00 0.00 +0.045 A ENDBRANCH 15 16 ENDBRANCH 11 15 ENDBRANCH 5 7 BRANCH 1 24 ATOM 22 C LIG 1 -4.184 -1.244 -0.605 0.00 0.00 +0.227 C ATOM 23 N LIG 1 -3.411 -2.249 -0.052 0.00 0.00 -0.288 N ATOM 24 C LIG 1 -2.008 -2.188 0.363 0.00 0.00 +0.144 C ATOM 25 C LIG 1 -1.850 -3.358 1.334 0.00 0.00 +0.063 C ATOM 26 C LIG 1 -2.862 -4.384 0.833 0.00 0.00 +0.134 C ATOM 27 C LIG 1 -4.019 -3.509 0.350 0.00 0.00 +0.140 C ATOM 28 O LIG 1 -5.356 -1.474 -0.911 0.00 0.00 -0.275 OA BRANCH 26 29 ATOM 29 O LIG 1 -3.234 -5.258 1.884 0.00 0.00 -0.390 OA ATOM 30 H LIG 1 -3.885 -5.892 1.535 0.00 0.00 +0.210 HD ENDBRANCH 26 29 BRANCH 22 31 ATOM 31 C LIG 1 -3.548 0.144 -0.806 0.00 0.00 +0.146 C BRANCH 31 35 ATOM 32 C LIG 1 -3.748 1.800 2.469 0.00 0.00 +0.255 A ATOM 33 N LIG 1 -2.523 2.127 2.054 0.00 0.00 -0.040 NA ATOM 34 O LIG 1 -2.394 1.534 0.808 0.00 0.00 -0.355 OA ATOM 35 C LIG 1 -3.540 0.859 0.505 0.00 0.00 +0.153 A ATOM 36 C LIG 1 -4.432 0.999 1.543 0.00 0.00 +0.115 A BRANCH 32 38 ATOM 37 C LIG 1 -3.352 3.041 4.403 0.00 0.00 +0.279 C ATOM 38 O LIG 1 -4.236 2.208 3.661 0.00 0.00 -0.478 OA ENDBRANCH 32 38 ENDBRANCH 31 35 BRANCH 31 39 ATOM 39 C LIG 1 -4.230 0.950 -1.946 0.00 0.00 +0.002 C ATOM 40 C LIG 1 -3.297 2.050 -2.469 0.00 0.00 +0.008 C ATOM 41 C LIG 1 -5.588 1.569 -1.592 0.00 0.00 +0.008 C ENDBRANCH 31 39 ENDBRANCH 22 31 ENDBRANCH 1 24 TORSDOF 9