REMARK Name = BDB010515 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.104 -0.235 0.690 0.00 0.00 +0.151 A ATOM 2 C LIG 1 -0.741 -0.508 0.819 0.00 0.00 +0.129 A ATOM 3 C LIG 1 -0.219 -0.828 2.060 0.00 0.00 +0.184 A ATOM 4 N LIG 1 1.111 -1.091 1.998 0.00 0.00 -0.206 NA ATOM 5 C LIG 1 1.460 -0.938 0.729 0.00 0.00 +0.162 A ATOM 6 N LIG 1 -0.928 -0.872 3.198 0.00 0.00 -0.203 NA ATOM 7 C LIG 1 -2.211 -0.547 2.999 0.00 0.00 +0.203 A ATOM 8 N LIG 1 0.365 -0.502 -0.011 0.00 0.00 -0.318 N ATOM 9 N LIG 1 -2.816 -0.234 1.839 0.00 0.00 -0.207 NA ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 -3.054 -0.545 4.215 0.00 0.00 +0.220 A ATOM 11 N LIG 1 -2.501 -0.873 5.394 0.00 0.00 -0.269 N ATOM 12 H LIG 1 -1.545 -1.140 5.565 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 -3.473 -0.803 6.312 0.00 0.00 +0.440 A ATOM 14 O LIG 1 -3.357 -1.048 7.502 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 -4.633 -0.413 5.687 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 -4.312 -0.256 4.300 0.00 0.00 -0.051 NA ENDBRANCH 7 10 BRANCH 5 17 ATOM 17 C LIG 1 2.831 -1.153 0.241 0.00 0.00 +0.106 A ATOM 18 N LIG 1 2.974 -1.540 -1.046 0.00 0.00 -0.252 NA ATOM 19 C LIG 1 4.232 -1.779 -1.476 0.00 0.00 +0.112 A ATOM 20 C LIG 1 5.364 -1.650 -0.685 0.00 0.00 +0.023 A ATOM 21 C LIG 1 5.213 -1.247 0.643 0.00 0.00 -0.041 A ATOM 22 C LIG 1 3.913 -1.011 1.109 0.00 0.00 +0.035 A BRANCH 21 23 ATOM 23 C LIG 1 6.388 -1.096 1.592 0.00 0.00 +0.013 C ATOM 24 C LIG 1 6.826 -2.459 2.127 0.00 0.00 +0.012 C ATOM 25 C LIG 1 7.574 -0.351 0.970 0.00 0.00 +0.012 C ENDBRANCH 21 23 ENDBRANCH 5 17 BRANCH 1 26 ATOM 26 N LIG 1 -2.745 0.039 -0.534 0.00 0.00 -0.311 N BRANCH 26 28 ATOM 27 C LIG 1 -3.365 2.406 -0.140 0.00 0.00 +0.024 C ATOM 28 C LIG 1 -3.871 0.988 -0.383 0.00 0.00 +0.103 C ENDBRANCH 26 28 BRANCH 26 29 ATOM 29 C LIG 1 -3.051 -1.219 -1.277 0.00 0.00 +0.075 C ATOM 30 C LIG 1 -3.216 -0.892 -2.772 0.00 0.00 +0.028 C BRANCH 29 31 ATOM 31 C LIG 1 -4.298 -1.974 -0.790 0.00 0.00 +0.009 C ATOM 32 C LIG 1 -4.215 -2.777 0.542 0.00 0.00 +0.005 C ATOM 33 C LIG 1 -5.119 -3.835 -0.119 0.00 0.00 +0.001 C ATOM 34 C LIG 1 -4.570 -3.349 -1.473 0.00 0.00 +0.005 C ENDBRANCH 29 31 ENDBRANCH 26 29 ENDBRANCH 1 26 BRANCH 8 35 ATOM 35 C LIG 1 0.375 0.005 -1.374 0.00 0.00 +0.127 C BRANCH 35 36 ATOM 36 C LIG 1 0.436 1.542 -1.474 0.00 0.00 +0.009 C ATOM 37 C LIG 1 0.073 1.984 -2.906 0.00 0.00 +0.005 C ATOM 38 C LIG 1 0.835 3.217 -3.394 0.00 0.00 +0.003 C ATOM 39 C LIG 1 1.092 4.253 -2.297 0.00 0.00 -0.014 C ATOM 40 C LIG 1 -0.202 4.946 -1.864 0.00 0.00 +0.007 C ATOM 41 C LIG 1 1.827 3.635 -1.095 0.00 0.00 +0.003 C ATOM 42 C LIG 1 1.800 2.104 -1.056 0.00 0.00 +0.005 C ENDBRANCH 35 36 ENDBRANCH 8 35 TORSDOF 9