REMARK Name = BDB010375 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.948 1.011 1.186 0.00 0.00 +0.199 A ATOM 2 N LIG 1 0.788 0.924 0.442 0.00 0.00 -0.308 N ATOM 3 C LIG 1 -0.246 1.410 1.214 0.00 0.00 +0.129 A ATOM 4 C LIG 1 0.377 1.788 2.394 0.00 0.00 +0.185 A ATOM 5 N LIG 1 -0.253 2.349 3.437 0.00 0.00 -0.203 NA ATOM 6 C LIG 1 -1.554 2.516 3.212 0.00 0.00 +0.203 A ATOM 7 N LIG 1 -2.260 2.165 2.112 0.00 0.00 -0.208 NA ATOM 8 C LIG 1 -1.623 1.580 1.075 0.00 0.00 +0.149 A ATOM 9 N LIG 1 1.708 1.508 2.372 0.00 0.00 -0.194 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -2.351 3.155 4.283 0.00 0.00 +0.220 A ATOM 11 N LIG 1 -3.661 3.366 4.079 0.00 0.00 -0.269 N ATOM 12 H LIG 1 -4.188 3.135 3.253 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 -4.141 3.949 5.184 0.00 0.00 +0.440 A ATOM 14 O LIG 1 -5.298 4.289 5.368 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 -3.112 4.096 6.077 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 -1.945 3.558 5.442 0.00 0.00 -0.051 NA ENDBRANCH 6 10 BRANCH 1 17 ATOM 17 N LIG 1 3.132 0.572 0.702 0.00 0.00 -0.307 N ATOM 18 H LIG 1 3.421 0.926 -0.211 0.00 0.00 +0.150 HD BRANCH 17 19 ATOM 19 C LIG 1 4.308 0.591 1.597 0.00 0.00 +0.119 C ATOM 20 C LIG 1 4.253 -0.654 2.498 0.00 0.00 +0.034 C BRANCH 19 25 ATOM 21 C LIG 1 7.118 1.956 -2.280 0.00 0.00 +0.073 C ATOM 22 C LIG 1 6.785 1.326 -0.968 0.00 0.00 +0.076 A ATOM 23 S LIG 1 8.010 0.557 -0.038 0.00 0.00 -0.080 S ATOM 24 C LIG 1 6.862 0.202 1.182 0.00 0.00 +0.072 A ATOM 25 C LIG 1 5.614 0.675 0.814 0.00 0.00 +0.069 A ATOM 26 N LIG 1 5.582 1.311 -0.437 0.00 0.00 -0.247 NA ENDBRANCH 19 25 ENDBRANCH 17 19 ENDBRANCH 1 17 BRANCH 8 27 ATOM 27 N LIG 1 -2.343 1.193 -0.048 0.00 0.00 -0.324 N ATOM 28 H LIG 1 -1.891 0.474 -0.596 0.00 0.00 +0.148 HD BRANCH 27 29 ATOM 29 C LIG 1 -3.791 0.983 0.079 0.00 0.00 +0.072 C ATOM 30 C LIG 1 -4.059 -0.336 0.811 0.00 0.00 +0.028 C BRANCH 29 31 ATOM 31 C LIG 1 -4.408 1.018 -1.331 0.00 0.00 +0.009 C ATOM 32 C LIG 1 -4.040 -0.060 -2.393 0.00 0.00 +0.005 C ATOM 33 C LIG 1 -5.459 0.131 -2.970 0.00 0.00 +0.001 C ATOM 34 C LIG 1 -5.891 0.599 -1.563 0.00 0.00 +0.005 C ENDBRANCH 29 31 ENDBRANCH 27 29 ENDBRANCH 8 27 BRANCH 2 35 ATOM 35 C LIG 1 0.699 0.417 -0.915 0.00 0.00 +0.128 C BRANCH 35 36 ATOM 36 C LIG 1 0.274 -1.062 -1.007 0.00 0.00 +0.009 C ATOM 37 C LIG 1 1.376 -2.019 -0.527 0.00 0.00 +0.005 C ATOM 38 C LIG 1 0.969 -3.483 -0.689 0.00 0.00 +0.003 C ATOM 39 C LIG 1 0.560 -3.807 -2.129 0.00 0.00 -0.014 C ATOM 40 C LIG 1 0.106 -5.259 -2.242 0.00 0.00 +0.007 C ATOM 41 C LIG 1 -0.540 -2.854 -2.607 0.00 0.00 +0.003 C ATOM 42 C LIG 1 -0.121 -1.394 -2.454 0.00 0.00 +0.005 C ENDBRANCH 35 36 ENDBRANCH 2 35 TORSDOF 9