REMARK Name = BDB022625 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.789 -2.209 2.028 0.00 0.00 +0.139 C ENDROOT BRANCH 1 4 ATOM 2 C LIG 1 2.088 -1.537 -0.385 0.00 0.00 +0.034 A ATOM 3 C LIG 1 1.289 -1.582 0.761 0.00 0.00 +0.028 A ATOM 4 C LIG 1 -0.003 -2.143 0.734 0.00 0.00 -0.029 A ATOM 5 C LIG 1 -0.475 -2.679 -0.472 0.00 0.00 +0.005 A ATOM 6 C LIG 1 0.306 -2.621 -1.625 0.00 0.00 +0.002 A ATOM 7 C LIG 1 1.578 -2.050 -1.581 0.00 0.00 +0.023 A BRANCH 2 9 ATOM 8 C LIG 1 4.139 -0.518 0.643 0.00 0.00 +0.220 C ATOM 9 N LIG 1 3.396 -1.011 -0.418 0.00 0.00 -0.285 N ATOM 10 H LIG 1 3.851 -1.028 -1.323 0.00 0.00 +0.155 HD ATOM 11 O LIG 1 3.774 -0.448 1.812 0.00 0.00 -0.275 OA BRANCH 8 14 ATOM 12 C LIG 1 6.633 2.082 -0.701 0.00 0.00 +0.074 C ATOM 13 C LIG 1 5.394 1.180 -0.717 0.00 0.00 +0.035 C ATOM 14 C LIG 1 5.533 -0.047 0.205 0.00 0.00 +0.077 C ATOM 15 C LIG 1 6.456 0.215 1.411 0.00 0.00 +0.013 C ATOM 16 C LIG 1 6.446 1.679 1.835 0.00 0.00 +0.003 C ATOM 17 C LIG 1 6.895 2.624 0.714 0.00 0.00 +0.022 C BRANCH 12 19 ATOM 18 C LIG 1 7.968 1.112 -2.553 0.00 0.00 +0.237 C ATOM 19 N LIG 1 7.808 1.383 -1.216 0.00 0.00 -0.309 N ATOM 20 H LIG 1 8.509 1.069 -0.559 0.00 0.00 +0.149 HD ATOM 21 O LIG 1 7.165 1.424 -3.423 0.00 0.00 -0.271 OA BRANCH 18 23 ATOM 22 C LIG 1 9.552 0.060 -4.104 0.00 0.00 +0.013 C ATOM 23 C LIG 1 9.228 0.380 -2.845 0.00 0.00 +0.059 C ENDBRANCH 18 23 ENDBRANCH 12 19 ENDBRANCH 8 14 ENDBRANCH 2 9 ENDBRANCH 1 4 BRANCH 1 24 ATOM 24 N LIG 1 -2.227 -2.254 1.835 0.00 0.00 -0.309 N ATOM 25 H LIG 1 -2.562 -3.174 1.575 0.00 0.00 +0.149 HD BRANCH 24 26 ATOM 26 C LIG 1 -2.986 -1.260 1.247 0.00 0.00 +0.221 A ATOM 27 N LIG 1 -2.686 0.110 1.330 0.00 0.00 -0.183 N ATOM 28 C LIG 1 -3.491 1.034 0.717 0.00 0.00 +0.166 A ATOM 29 C LIG 1 -2.945 2.270 1.002 0.00 0.00 +0.019 A ATOM 30 C LIG 1 -1.815 1.966 1.803 0.00 0.00 +0.141 A ATOM 31 N LIG 1 -4.578 0.631 0.011 0.00 0.00 -0.195 NA ATOM 32 C LIG 1 -4.821 -0.654 -0.034 0.00 0.00 +0.220 A ATOM 33 N LIG 1 -1.658 0.657 2.017 0.00 0.00 -0.170 NA ATOM 34 N LIG 1 -4.052 -1.619 0.581 0.00 0.00 -0.181 NA BRANCH 29 35 ATOM 35 C LIG 1 -3.448 3.612 0.565 0.00 0.00 +0.018 C ATOM 36 C LIG 1 -2.433 4.335 -0.323 0.00 0.00 +0.012 C ATOM 37 C LIG 1 -3.834 4.486 1.760 0.00 0.00 +0.012 C ENDBRANCH 29 35 BRANCH 32 38 ATOM 38 N LIG 1 -5.920 -1.041 -0.746 0.00 0.00 -0.310 N ATOM 39 H LIG 1 -6.485 -0.239 -1.001 0.00 0.00 +0.149 HD BRANCH 38 40 ATOM 40 C LIG 1 -6.645 -2.276 -0.490 0.00 0.00 +0.077 C ATOM 41 C LIG 1 -7.494 -2.639 -1.716 0.00 0.00 +0.050 C ATOM 42 C LIG 1 -8.946 -2.241 -1.508 0.00 0.00 +0.161 C ATOM 43 O LIG 1 -9.535 -2.888 -0.380 0.00 0.00 -0.380 OA ATOM 44 C LIG 1 -8.662 -3.102 0.730 0.00 0.00 +0.161 C ATOM 45 C LIG 1 -7.502 -2.123 0.771 0.00 0.00 +0.050 C ENDBRANCH 38 40 ENDBRANCH 32 38 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 10