REMARK Name = BDB032412 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.513 2.704 0.672 0.00 0.00 +0.044 C ATOM 2 C LIG 1 0.143 1.546 -0.029 0.00 0.00 -0.044 A ATOM 3 C LIG 1 -0.568 0.708 -0.906 0.00 0.00 -0.027 A ATOM 4 C LIG 1 0.104 -0.374 -1.492 0.00 0.00 +0.007 A ATOM 5 C LIG 1 1.463 -0.605 -1.247 0.00 0.00 +0.023 A ATOM 6 C LIG 1 2.204 0.236 -0.410 0.00 0.00 +0.030 A ATOM 7 C LIG 1 1.513 1.300 0.196 0.00 0.00 +0.026 A ENDROOT BRANCH 6 8 ATOM 8 N LIG 1 3.569 0.047 -0.136 0.00 0.00 -0.321 N ATOM 9 C LIG 1 4.410 1.225 -0.496 0.00 0.00 +0.181 C ATOM 10 C LIG 1 5.878 0.986 -0.349 0.00 0.00 +0.151 A ATOM 11 N LIG 1 6.881 1.818 -0.513 0.00 0.00 -0.132 NA ATOM 12 N LIG 1 8.046 1.122 -0.273 0.00 0.00 -0.125 NA ATOM 13 C LIG 1 7.733 -0.125 0.034 0.00 0.00 +0.238 A ATOM 14 N LIG 1 6.373 -0.245 -0.021 0.00 0.00 -0.305 N ATOM 15 C LIG 1 5.536 -1.399 0.228 0.00 0.00 +0.144 C ATOM 16 C LIG 1 4.178 -1.253 -0.472 0.00 0.00 +0.127 C BRANCH 13 17 ATOM 17 C LIG 1 8.637 -1.246 0.382 0.00 0.00 +0.452 C ATOM 18 F LIG 1 8.604 -2.220 -0.568 0.00 0.00 -0.163 F ATOM 19 F LIG 1 8.261 -1.845 1.545 0.00 0.00 -0.163 F ATOM 20 F LIG 1 9.933 -0.879 0.528 0.00 0.00 -0.163 F ENDBRANCH 13 17 ENDBRANCH 6 8 BRANCH 3 21 ATOM 21 C LIG 1 -2.044 0.889 -1.197 0.00 0.00 +0.137 C BRANCH 21 22 ATOM 22 N LIG 1 -2.809 0.034 -0.300 0.00 0.00 -0.339 N ATOM 23 H LIG 1 -2.406 0.032 0.633 0.00 0.00 +0.146 HD BRANCH 22 24 ATOM 24 C LIG 1 -4.214 0.112 -0.252 0.00 0.00 +0.035 A ATOM 25 C LIG 1 -4.932 -0.587 0.771 0.00 0.00 +0.008 A ATOM 26 C LIG 1 -6.349 -0.523 0.816 0.00 0.00 +0.023 A ATOM 27 C LIG 1 -7.019 -1.204 1.866 0.00 0.00 +0.124 A ATOM 28 N LIG 1 -6.383 -1.920 2.808 0.00 0.00 -0.240 NA ATOM 29 C LIG 1 -5.045 -1.993 2.732 0.00 0.00 +0.113 A ATOM 30 C LIG 1 -7.027 0.201 -0.187 0.00 0.00 +0.012 A ATOM 31 C LIG 1 -6.335 0.827 -1.218 0.00 0.00 +0.003 A ATOM 32 C LIG 1 -4.294 -1.361 1.758 0.00 0.00 +0.030 A ATOM 33 C LIG 1 -4.946 0.768 -1.255 0.00 0.00 +0.023 A BRANCH 27 34 ATOM 34 N LIG 1 -8.419 -1.179 1.978 0.00 0.00 -0.343 N ATOM 35 H LIG 1 -8.730 -0.218 2.067 0.00 0.00 +0.144 HD ATOM 36 H LIG 1 -8.826 -1.582 1.140 0.00 0.00 +0.144 HD ENDBRANCH 27 34 ENDBRANCH 22 24 ENDBRANCH 21 22 ENDBRANCH 3 21 TORSDOF 6