REMARK Name = BDB055371 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C UNK 1 -0.613 1.805 0.384 0.00 0.00 +0.159 C ENDROOT BRANCH 1 2 ATOM 2 N UNK 1 -1.920 1.422 -0.155 0.00 0.00 -0.302 N ATOM 3 H UNK 1 -1.860 0.814 -0.970 0.00 0.00 +0.150 HD ATOM 4 C UNK 1 -2.971 1.045 0.677 0.00 0.00 +0.236 C ATOM 5 O UNK 1 -3.066 1.411 1.843 0.00 0.00 -0.274 OA BRANCH 4 6 ATOM 6 C UNK 1 -4.066 0.278 -0.078 0.00 0.00 +0.184 C BRANCH 6 7 ATOM 7 N UNK 1 -3.424 -0.751 -0.903 0.00 0.00 -0.301 N ATOM 8 H UNK 1 -2.671 -1.308 -0.486 0.00 0.00 +0.150 HD ATOM 9 C UNK 1 -4.132 -1.445 -1.861 0.00 0.00 +0.231 C ATOM 10 O UNK 1 -5.256 -1.104 -2.217 0.00 0.00 -0.274 OA BRANCH 9 11 ATOM 11 C UNK 1 -3.353 -2.642 -2.444 0.00 0.00 +0.140 C ATOM 12 N UNK 1 -2.576 -3.311 -1.368 0.00 0.00 -0.306 NA ATOM 13 H UNK 1 -1.871 -3.897 -1.822 0.00 0.00 +0.123 HD ATOM 14 C UNK 1 -3.536 -4.218 -0.713 0.00 0.00 +0.081 C ATOM 15 C UNK 1 -4.591 -4.573 -1.753 0.00 0.00 +0.017 C ATOM 16 C UNK 1 -4.250 -3.741 -2.982 0.00 0.00 +0.029 C ENDBRANCH 9 11 ENDBRANCH 6 7 BRANCH 6 17 ATOM 17 C UNK 1 -5.143 -0.288 0.858 0.00 0.00 +0.187 C BRANCH 17 18 ATOM 18 O UNK 1 -6.406 -0.378 0.188 0.00 0.00 -0.393 OA ATOM 19 H UNK 1 -6.244 -0.744 -0.708 0.00 0.00 +0.209 HD ENDBRANCH 17 18 ENDBRANCH 6 17 ENDBRANCH 4 6 ENDBRANCH 1 2 BRANCH 1 22 ATOM 20 N UNK 1 1.306 0.659 1.470 0.00 0.00 -0.302 N ATOM 21 H UNK 1 1.792 1.514 1.234 0.00 0.00 +0.150 HD ATOM 22 C UNK 1 0.072 0.496 0.871 0.00 0.00 +0.234 C ATOM 23 O UNK 1 -0.427 -0.610 0.659 0.00 0.00 -0.274 OA BRANCH 20 24 ATOM 24 C UNK 1 2.213 -0.484 1.692 0.00 0.00 +0.163 C BRANCH 24 27 ATOM 25 N UNK 1 3.795 -1.842 0.346 0.00 0.00 -0.302 N ATOM 26 H UNK 1 4.115 -2.212 1.237 0.00 0.00 +0.150 HD ATOM 27 C UNK 1 2.881 -0.815 0.332 0.00 0.00 +0.234 C ATOM 28 O UNK 1 2.659 -0.152 -0.684 0.00 0.00 -0.274 OA BRANCH 25 29 ATOM 29 C UNK 1 4.594 -2.193 -0.834 0.00 0.00 +0.159 C BRANCH 29 30 ATOM 30 C UNK 1 4.843 -3.707 -0.722 0.00 0.00 +0.231 C ATOM 31 O UNK 1 5.923 -4.225 -0.462 0.00 0.00 -0.274 OA ATOM 32 N UNK 1 3.725 -4.480 -0.894 0.00 0.00 -0.328 N ATOM 33 H UNK 1 2.799 -4.075 -0.872 0.00 0.00 +0.145 HD ATOM 34 H UNK 1 3.823 -5.478 -0.758 0.00 0.00 +0.145 HD ENDBRANCH 29 30 BRANCH 29 35 ATOM 35 C UNK 1 5.879 -1.351 -0.883 0.00 0.00 +0.034 C BRANCH 35 37 ATOM 36 C UNK 1 7.590 -0.136 -2.271 0.00 0.00 +0.007 C ATOM 37 C UNK 1 6.441 -1.149 -2.306 0.00 0.00 -0.015 C ATOM 38 C UNK 1 6.925 -2.447 -2.954 0.00 0.00 +0.007 C ENDBRANCH 35 37 ENDBRANCH 29 35 ENDBRANCH 25 29 ENDBRANCH 24 27 BRANCH 24 39 ATOM 39 C UNK 1 1.544 -1.694 2.378 0.00 0.00 +0.067 C BRANCH 39 40 ATOM 40 C UNK 1 2.488 -2.509 3.235 0.00 0.00 -0.045 A ATOM 41 C UNK 1 3.057 -1.958 4.391 0.00 0.00 +0.004 A ATOM 42 C UNK 1 3.945 -2.703 5.168 0.00 0.00 +0.000 A ATOM 43 C UNK 1 4.269 -4.007 4.800 0.00 0.00 +0.000 A ATOM 44 C UNK 1 3.696 -4.572 3.662 0.00 0.00 +0.000 A ATOM 45 C UNK 1 2.803 -3.831 2.889 0.00 0.00 +0.004 A ENDBRANCH 39 40 ENDBRANCH 24 39 ENDBRANCH 20 24 ENDBRANCH 1 22 BRANCH 1 46 ATOM 46 C UNK 1 -0.601 2.954 1.409 0.00 0.00 +0.032 C BRANCH 46 47 ATOM 47 C UNK 1 -1.171 4.294 0.907 0.00 0.00 +0.000 C BRANCH 47 48 ATOM 48 C UNK 1 -2.701 4.377 0.958 0.00 0.00 -0.018 C BRANCH 48 49 ATOM 49 C UNK 1 -3.287 5.784 0.798 0.00 0.00 -0.076 C BRANCH 49 50 ATOM 50 N UNK 1 -3.582 6.228 -0.649 0.00 0.00 +0.374 N ATOM 51 C UNK 1 -4.574 5.289 -1.333 0.00 0.00 -0.093 C ATOM 52 C UNK 1 -4.228 7.618 -0.572 0.00 0.00 -0.093 C ATOM 53 C UNK 1 -2.319 6.337 -1.487 0.00 0.00 -0.093 C ENDBRANCH 49 50 ENDBRANCH 48 49 ENDBRANCH 47 48 ENDBRANCH 46 47 ENDBRANCH 1 46 TORSDOF 20