REMARK Name = BDB010358 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.838 -2.217 -0.509 0.00 0.00 +0.149 A ATOM 2 C LIG 1 0.390 -1.624 -0.796 0.00 0.00 +0.129 A ATOM 3 C LIG 1 1.559 -2.343 -0.588 0.00 0.00 +0.185 A ATOM 4 N LIG 1 2.661 -1.638 -0.954 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 2.219 -0.466 -1.338 0.00 0.00 +0.201 A ATOM 6 N LIG 1 1.607 -3.600 -0.123 0.00 0.00 -0.203 NA ATOM 7 C LIG 1 0.395 -4.098 0.112 0.00 0.00 +0.203 A ATOM 8 N LIG 1 0.833 -0.428 -1.331 0.00 0.00 -0.307 N ATOM 9 N LIG 1 -0.801 -3.489 -0.059 0.00 0.00 -0.208 NA ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 0.318 -5.485 0.621 0.00 0.00 +0.220 A ATOM 11 N LIG 1 -0.891 -6.026 0.849 0.00 0.00 -0.269 N ATOM 12 H LIG 1 -1.785 -5.587 0.704 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 -0.685 -7.269 1.297 0.00 0.00 +0.440 A ATOM 14 O LIG 1 -1.551 -8.070 1.610 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 0.668 -7.494 1.347 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 1.295 -6.288 0.891 0.00 0.00 -0.051 NA ENDBRANCH 7 10 BRANCH 5 17 ATOM 17 N LIG 1 2.975 0.558 -1.830 0.00 0.00 -0.289 N ATOM 18 C LIG 1 3.563 1.546 -0.855 0.00 0.00 +0.132 C ATOM 19 C LIG 1 5.046 1.891 -1.180 0.00 0.00 +0.187 C ATOM 20 O LIG 1 5.905 0.764 -1.387 0.00 0.00 -0.376 OA ATOM 21 C LIG 1 5.310 -0.273 -2.179 0.00 0.00 +0.179 C ATOM 22 C LIG 1 3.976 0.111 -2.833 0.00 0.00 +0.136 C BRANCH 18 23 ATOM 23 C LIG 1 3.367 1.240 0.630 0.00 0.00 -0.025 A ATOM 24 C LIG 1 2.542 2.066 1.413 0.00 0.00 +0.005 A ATOM 25 C LIG 1 2.348 1.811 2.772 0.00 0.00 +0.000 A ATOM 26 C LIG 1 2.983 0.729 3.375 0.00 0.00 +0.000 A ATOM 27 C LIG 1 3.816 -0.092 2.620 0.00 0.00 +0.000 A ATOM 28 C LIG 1 4.012 0.166 1.262 0.00 0.00 +0.005 A ENDBRANCH 18 23 ENDBRANCH 5 17 BRANCH 1 29 ATOM 29 N LIG 1 -2.059 -1.580 -0.670 0.00 0.00 -0.324 N ATOM 30 H LIG 1 -1.997 -0.581 -0.546 0.00 0.00 +0.148 HD BRANCH 29 32 ATOM 31 C LIG 1 -4.469 -1.589 -0.796 0.00 0.00 +0.028 C ATOM 32 C LIG 1 -3.257 -2.173 -0.067 0.00 0.00 +0.072 C BRANCH 32 33 ATOM 33 C LIG 1 -3.292 -1.928 1.454 0.00 0.00 +0.009 C ATOM 34 C LIG 1 -3.533 -0.501 2.014 0.00 0.00 +0.005 C ATOM 35 C LIG 1 -4.975 -0.911 2.356 0.00 0.00 +0.001 C ATOM 36 C LIG 1 -4.542 -2.383 2.252 0.00 0.00 +0.005 C ENDBRANCH 32 33 ENDBRANCH 29 32 ENDBRANCH 1 29 BRANCH 8 37 ATOM 37 C LIG 1 0.038 0.559 -2.045 0.00 0.00 +0.128 C BRANCH 37 38 ATOM 38 C LIG 1 -0.161 1.908 -1.331 0.00 0.00 +0.009 C ATOM 39 C LIG 1 -1.078 1.812 -0.106 0.00 0.00 +0.005 C ATOM 40 C LIG 1 -1.277 3.169 0.567 0.00 0.00 +0.003 C ATOM 41 C LIG 1 -1.818 4.212 -0.419 0.00 0.00 -0.014 C ATOM 42 C LIG 1 -1.954 5.574 0.258 0.00 0.00 +0.007 C ATOM 43 C LIG 1 -0.919 4.309 -1.657 0.00 0.00 +0.003 C ATOM 44 C LIG 1 -0.717 2.947 -2.320 0.00 0.00 +0.005 C ENDBRANCH 37 38 ENDBRANCH 8 37 TORSDOF 8