REMARK Name = BDB010384 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.481 -0.797 1.173 0.00 0.00 +0.149 A ATOM 2 C LIG 1 0.217 -1.286 0.848 0.00 0.00 +0.129 A ATOM 3 C LIG 1 -0.322 -2.336 1.580 0.00 0.00 +0.185 A ATOM 4 N LIG 1 -1.564 -2.677 1.142 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 -1.796 -1.905 0.111 0.00 0.00 +0.201 A ATOM 6 N LIG 1 0.301 -2.947 2.599 0.00 0.00 -0.203 NA ATOM 7 C LIG 1 1.517 -2.451 2.819 0.00 0.00 +0.203 A ATOM 8 N LIG 1 -0.754 -1.016 -0.094 0.00 0.00 -0.307 N ATOM 9 N LIG 1 2.130 -1.431 2.172 0.00 0.00 -0.208 NA ENDROOT BRANCH 5 10 ATOM 10 N LIG 1 -2.910 -1.884 -0.674 0.00 0.00 -0.291 N ATOM 11 C LIG 1 -3.176 -3.108 -1.523 0.00 0.00 +0.055 C ATOM 12 C LIG 1 -3.433 -4.379 -0.689 0.00 0.00 +0.034 C ATOM 13 C LIG 1 -1.992 -3.370 -2.476 0.00 0.00 +0.034 C ATOM 14 C LIG 1 -4.427 -2.814 -2.408 0.00 0.00 +0.185 C ATOM 15 O LIG 1 -5.580 -2.460 -1.630 0.00 0.00 -0.376 OA ATOM 16 C LIG 1 -5.311 -1.279 -0.864 0.00 0.00 +0.179 C ATOM 17 C LIG 1 -4.127 -1.480 0.087 0.00 0.00 +0.136 C ENDBRANCH 5 10 BRANCH 7 18 ATOM 18 C LIG 1 2.315 -3.067 3.902 0.00 0.00 +0.220 A ATOM 19 N LIG 1 3.558 -2.611 4.133 0.00 0.00 -0.269 N ATOM 20 H LIG 1 4.034 -1.878 3.635 0.00 0.00 +0.174 HD ATOM 21 C LIG 1 4.055 -3.327 5.149 0.00 0.00 +0.440 A ATOM 22 O LIG 1 5.165 -3.198 5.638 0.00 0.00 -0.221 OA ATOM 23 O LIG 1 3.103 -4.232 5.548 0.00 0.00 -0.295 OA ATOM 24 N LIG 1 1.968 -4.026 4.697 0.00 0.00 -0.051 NA ENDBRANCH 7 18 BRANCH 1 25 ATOM 25 N LIG 1 2.083 0.273 0.530 0.00 0.00 -0.324 N ATOM 26 H LIG 1 1.423 0.951 0.178 0.00 0.00 +0.148 HD BRANCH 25 28 ATOM 27 C LIG 1 2.880 1.802 2.277 0.00 0.00 +0.028 C ATOM 28 C LIG 1 3.277 0.881 1.122 0.00 0.00 +0.072 C BRANCH 28 29 ATOM 29 C LIG 1 3.988 1.706 0.045 0.00 0.00 +0.009 C ATOM 30 C LIG 1 5.427 2.201 0.366 0.00 0.00 +0.005 C ATOM 31 C LIG 1 5.768 1.948 -1.116 0.00 0.00 +0.001 C ATOM 32 C LIG 1 4.630 0.907 -1.124 0.00 0.00 +0.005 C ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 1 25 BRANCH 8 33 ATOM 33 C LIG 1 -0.691 -0.066 -1.190 0.00 0.00 +0.128 C BRANCH 33 34 ATOM 34 C LIG 1 -1.562 1.196 -1.015 0.00 0.00 +0.009 C ATOM 35 C LIG 1 -1.611 1.965 -2.352 0.00 0.00 +0.005 C ATOM 36 C LIG 1 -2.000 3.423 -2.146 0.00 0.00 +0.003 C ATOM 37 C LIG 1 -0.943 4.171 -1.315 0.00 0.00 -0.014 C ATOM 38 C LIG 1 -1.573 5.383 -0.627 0.00 0.00 +0.007 C ATOM 39 C LIG 1 -0.234 3.253 -0.302 0.00 0.00 +0.003 C ATOM 40 C LIG 1 -1.126 2.102 0.154 0.00 0.00 +0.005 C ENDBRANCH 33 34 ENDBRANCH 8 33 TORSDOF 7