REMARK Name = BDB024803 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.878 4.200 0.850 0.00 0.00 +0.407 C ATOM 2 N LIG 1 -4.878 2.892 0.335 0.00 0.00 -0.234 N ATOM 3 C LIG 1 -6.190 2.216 0.251 0.00 0.00 +0.082 C ATOM 4 C LIG 1 -7.056 2.822 -0.866 0.00 0.00 +0.028 C ATOM 5 C LIG 1 -6.124 0.696 0.030 0.00 0.00 +0.027 C ATOM 6 C LIG 1 -4.957 0.095 0.783 0.00 0.00 +0.041 C ATOM 7 C LIG 1 -3.709 0.740 0.253 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -2.539 0.001 -0.017 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -2.308 -1.345 0.136 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -1.063 -1.550 -0.246 0.00 0.00 +0.113 A ATOM 11 N LIG 1 -0.482 -0.370 -0.661 0.00 0.00 -0.326 N ATOM 12 C LIG 1 -1.408 0.639 -0.508 0.00 0.00 +0.069 A ATOM 13 C LIG 1 -1.372 2.013 -0.752 0.00 0.00 +0.030 A ATOM 14 C LIG 1 -2.535 2.742 -0.470 0.00 0.00 +0.026 A ATOM 15 C LIG 1 -3.693 2.138 0.041 0.00 0.00 +0.045 A ATOM 16 O LIG 1 -5.905 4.824 1.110 0.00 0.00 -0.226 OA ENDROOT BRANCH 1 18 ATOM 17 C LIG 1 -3.637 6.012 1.691 0.00 0.00 +0.282 C ATOM 18 O LIG 1 -3.640 4.708 1.110 0.00 0.00 -0.453 OA ENDBRANCH 1 18 BRANCH 11 19 ATOM 19 C LIG 1 0.865 -0.197 -1.179 0.00 0.00 +0.139 C BRANCH 19 20 ATOM 20 C LIG 1 1.895 -0.028 -0.055 0.00 0.00 +0.106 C BRANCH 20 21 ATOM 21 N LIG 1 3.255 0.218 -0.555 0.00 0.00 -0.299 NA ATOM 22 C LIG 1 4.203 0.425 0.557 0.00 0.00 +0.106 C ATOM 23 C LIG 1 5.553 0.321 -0.154 0.00 0.00 +0.088 C ATOM 24 C LIG 1 5.329 -0.846 -1.114 0.00 0.00 +0.039 C ATOM 25 C LIG 1 3.813 -0.918 -1.308 0.00 0.00 +0.086 C BRANCH 23 26 ATOM 26 N LIG 1 5.853 1.548 -0.887 0.00 0.00 -0.311 N ATOM 27 H LIG 1 5.060 1.999 -1.327 0.00 0.00 +0.149 HD ATOM 28 C LIG 1 7.119 1.829 -1.341 0.00 0.00 +0.210 C ATOM 29 O LIG 1 8.102 1.142 -1.087 0.00 0.00 -0.276 OA ATOM 30 C LIG 1 7.209 3.069 -2.190 0.00 0.00 +0.109 C ENDBRANCH 23 26 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 11 19 BRANCH 10 31 ATOM 31 C LIG 1 -0.382 -2.879 -0.200 0.00 0.00 +0.096 C BRANCH 31 32 ATOM 32 C LIG 1 -0.157 -3.319 1.249 0.00 0.00 +0.132 C BRANCH 32 33 ATOM 33 N LIG 1 0.574 -4.584 1.333 0.00 0.00 -0.315 N ATOM 34 C LIG 1 1.963 -4.560 1.193 0.00 0.00 +0.251 A ATOM 35 O LIG 1 2.624 -3.545 0.988 0.00 0.00 -0.268 OA ATOM 36 C LIG 1 2.651 -5.875 1.291 0.00 0.00 +0.070 A ATOM 37 C LIG 1 1.940 -6.995 1.474 0.00 0.00 +0.007 A ATOM 38 C LIG 1 0.504 -6.942 1.577 0.00 0.00 +0.018 A ATOM 39 C LIG 1 -0.129 -5.765 1.506 0.00 0.00 +0.089 A ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 10 31 TORSDOF 8