REMARK Name = BDB031707 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.001 -2.637 0.405 0.00 0.00 -0.041 A ATOM 2 C LIG 1 -1.455 -2.966 -0.850 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -0.253 -2.362 -1.239 0.00 0.00 +0.068 A ATOM 4 C LIG 1 0.439 -1.459 -0.444 0.00 0.00 +0.041 A ATOM 5 C LIG 1 1.591 -1.087 -1.211 0.00 0.00 +0.154 A ATOM 6 N LIG 1 1.611 -1.735 -2.379 0.00 0.00 -0.157 NA ATOM 7 C LIG 1 -0.090 -1.140 0.820 0.00 0.00 +0.014 A ATOM 8 N LIG 1 0.498 -2.477 -2.374 0.00 0.00 -0.275 N ATOM 9 H LIG 1 0.307 -3.051 -3.186 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 -1.294 -1.738 1.224 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 -4.508 1.307 0.173 0.00 0.00 +0.120 A ATOM 12 C LIG 1 -4.185 -0.053 0.051 0.00 0.00 +0.052 A ATOM 13 C LIG 1 -4.671 -0.956 0.984 0.00 0.00 -0.007 A ATOM 14 C LIG 1 -4.537 -2.444 1.153 0.00 0.00 +0.081 C ATOM 15 C LIG 1 -3.290 -3.262 0.886 0.00 0.00 +0.040 C ATOM 16 C LIG 1 -5.383 -2.752 2.367 0.00 0.00 +0.228 C ATOM 17 N LIG 1 -5.894 -1.550 2.823 0.00 0.00 -0.284 N ATOM 18 H LIG 1 -6.500 -1.486 3.625 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 -5.565 -3.862 2.838 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 -4.494 -3.369 -0.029 0.00 0.00 +0.031 C ATOM 21 C LIG 1 -5.490 -0.482 2.019 0.00 0.00 +0.038 A ATOM 22 C LIG 1 -5.829 0.846 2.170 0.00 0.00 +0.027 A ATOM 23 C LIG 1 -5.324 1.749 1.230 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 -4.229 3.497 -0.722 0.00 0.00 +0.277 C ATOM 25 O LIG 1 -3.968 2.102 -0.803 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 N LIG 1 2.506 -0.214 -0.733 0.00 0.00 -0.280 N ATOM 27 H LIG 1 2.337 0.228 0.161 0.00 0.00 +0.155 HD BRANCH 26 28 ATOM 28 C LIG 1 3.561 0.448 -1.395 0.00 0.00 +0.167 A ATOM 29 C LIG 1 4.466 1.169 -0.625 0.00 0.00 +0.164 A ATOM 30 O LIG 1 4.380 1.345 0.739 0.00 0.00 -0.488 OA ATOM 31 C LIG 1 5.692 1.854 1.090 0.00 0.00 +0.239 C ATOM 32 C LIG 1 6.283 2.562 -0.138 0.00 0.00 +0.086 C ATOM 33 C LIG 1 5.548 1.821 -1.197 0.00 0.00 +0.008 A ATOM 34 C LIG 1 5.742 1.762 -2.560 0.00 0.00 +0.027 A ATOM 35 C LIG 1 4.818 1.018 -3.279 0.00 0.00 +0.113 A ATOM 36 N LIG 1 3.755 0.372 -2.731 0.00 0.00 -0.237 NA BRANCH 32 37 ATOM 37 C LIG 1 7.806 2.515 -0.207 0.00 0.00 +0.167 C BRANCH 37 38 ATOM 38 O LIG 1 8.323 1.199 -0.053 0.00 0.00 -0.394 OA ATOM 39 H LIG 1 7.963 0.647 -0.771 0.00 0.00 +0.209 HD ENDBRANCH 37 38 ENDBRANCH 32 37 ENDBRANCH 26 28 ENDBRANCH 5 26 TORSDOF 6