REMARK Name = BDB064532 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.941 -1.929 0.121 0.00 0.00 +0.049 A ATOM 2 C LIG 1 1.477 -2.656 -1.003 0.00 0.00 -0.004 A ATOM 3 C LIG 1 0.361 -2.146 -1.724 0.00 0.00 +0.004 A ATOM 4 C LIG 1 -0.059 -2.850 -2.878 0.00 0.00 +0.010 A ATOM 5 C LIG 1 0.558 -4.026 -3.305 0.00 0.00 +0.001 A ATOM 6 C LIG 1 1.630 -4.532 -2.591 0.00 0.00 +0.001 A ATOM 7 C LIG 1 -0.288 -0.940 -1.302 0.00 0.00 +0.038 A ATOM 8 C LIG 1 0.227 -0.255 -0.194 0.00 0.00 +0.024 A ATOM 9 C LIG 1 2.086 -3.854 -1.460 0.00 0.00 +0.009 A ATOM 10 C LIG 1 1.321 -0.740 0.515 0.00 0.00 +0.016 A ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 5.316 -1.950 2.015 0.00 0.00 +0.219 A ATOM 12 N LIG 1 4.217 -1.635 1.228 0.00 0.00 -0.162 N ATOM 13 C LIG 1 3.080 -2.412 0.946 0.00 0.00 +0.282 C ATOM 14 O LIG 1 3.036 -3.551 1.414 0.00 0.00 -0.265 OA ATOM 15 N LIG 1 4.381 -0.404 0.685 0.00 0.00 -0.139 NA ATOM 16 C LIG 1 5.586 -0.032 1.149 0.00 0.00 +0.202 A ATOM 17 N LIG 1 6.186 -0.975 1.961 0.00 0.00 -0.192 NA BRANCH 16 18 ATOM 18 C LIG 1 6.234 1.253 0.843 0.00 0.00 +0.110 A ATOM 19 N LIG 1 5.548 2.134 0.065 0.00 0.00 -0.252 NA ATOM 20 C LIG 1 6.145 3.311 -0.216 0.00 0.00 +0.111 A ATOM 21 C LIG 1 7.402 3.667 0.242 0.00 0.00 +0.020 A ATOM 22 C LIG 1 8.092 2.761 1.038 0.00 0.00 +0.004 A ATOM 23 C LIG 1 7.503 1.536 1.344 0.00 0.00 +0.031 A ENDBRANCH 16 18 BRANCH 11 24 ATOM 24 N LIG 1 5.441 -3.091 2.720 0.00 0.00 -0.327 N ATOM 25 H LIG 1 6.369 -3.361 3.030 0.00 0.00 +0.145 HD ATOM 26 H LIG 1 4.814 -3.873 2.517 0.00 0.00 +0.145 HD ENDBRANCH 11 24 ENDBRANCH 1 13 BRANCH 7 27 ATOM 27 N LIG 1 -1.426 -0.476 -1.981 0.00 0.00 -0.327 N ATOM 28 C LIG 1 -1.625 0.969 -2.203 0.00 0.00 +0.120 C ATOM 29 C LIG 1 -2.562 1.636 -1.165 0.00 0.00 +0.103 C ATOM 30 N LIG 1 -3.822 0.894 -0.934 0.00 0.00 -0.296 NA ATOM 31 C LIG 1 -3.497 -0.503 -0.573 0.00 0.00 +0.103 C ATOM 32 C LIG 1 -2.675 -1.207 -1.675 0.00 0.00 +0.120 C BRANCH 30 33 ATOM 33 C LIG 1 -4.708 1.587 0.021 0.00 0.00 +0.057 C ATOM 34 C LIG 1 -6.178 1.173 -0.225 0.00 0.00 +0.019 C ATOM 35 C LIG 1 -7.108 1.485 0.953 0.00 0.00 +0.002 C ATOM 36 C LIG 1 -6.603 2.646 1.796 0.00 0.00 +0.000 C ATOM 37 C LIG 1 -5.220 2.362 2.385 0.00 0.00 +0.002 C ATOM 38 C LIG 1 -4.354 1.448 1.511 0.00 0.00 +0.019 C ENDBRANCH 30 33 ENDBRANCH 7 27 TORSDOF 5