REMARK Name = BDB000373 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.294 -3.197 -0.675 0.00 0.00 +0.080 C ENDROOT BRANCH 1 2 ATOM 2 N LIG 1 -0.998 -4.398 -0.183 0.00 0.00 -0.325 NA ATOM 3 H LIG 1 -0.835 -4.492 0.820 0.00 0.00 +0.119 HD ATOM 4 H LIG 1 -0.527 -5.215 -0.586 0.00 0.00 +0.119 HD ENDBRANCH 1 2 BRANCH 1 5 ATOM 5 C LIG 1 1.244 -3.468 -0.658 0.00 0.00 +0.132 C BRANCH 5 6 ATOM 6 O LIG 1 1.477 -4.729 -1.304 0.00 0.00 -0.390 OA ATOM 7 H LIG 1 1.123 -4.660 -2.209 0.00 0.00 +0.210 HD ENDBRANCH 5 6 BRANCH 5 8 ATOM 8 C LIG 1 2.063 -2.379 -1.366 0.00 0.00 +0.045 C BRANCH 8 9 ATOM 9 C LIG 1 3.590 -2.494 -1.158 0.00 0.00 +0.074 C ATOM 10 C LIG 1 4.217 -3.691 -1.873 0.00 0.00 +0.017 C BRANCH 9 11 ATOM 11 C LIG 1 4.271 -1.210 -1.636 0.00 0.00 +0.216 C ATOM 12 N LIG 1 5.567 -1.066 -1.187 0.00 0.00 -0.315 N ATOM 13 H LIG 1 5.944 -1.751 -0.545 0.00 0.00 +0.149 HD ATOM 14 O LIG 1 3.719 -0.387 -2.359 0.00 0.00 -0.276 OA BRANCH 12 15 ATOM 15 C LIG 1 6.356 0.110 -1.495 0.00 0.00 +0.105 C BRANCH 15 16 ATOM 16 C LIG 1 6.039 1.299 -0.587 0.00 0.00 +0.034 C BRANCH 16 17 ATOM 17 C LIG 1 6.481 1.052 0.862 0.00 0.00 +0.086 C BRANCH 17 18 ATOM 18 N LIG 1 6.164 2.185 1.740 0.00 0.00 -0.298 NA ATOM 19 C LIG 1 7.047 3.356 1.546 0.00 0.00 +0.112 C ATOM 20 C LIG 1 8.109 3.521 2.646 0.00 0.00 +0.175 C ATOM 21 O LIG 1 7.552 3.645 3.961 0.00 0.00 -0.377 OA ATOM 22 C LIG 1 6.295 2.970 4.104 0.00 0.00 +0.175 C ATOM 23 C LIG 1 6.159 1.768 3.159 0.00 0.00 +0.112 C ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 15 16 ENDBRANCH 12 15 ENDBRANCH 9 11 ENDBRANCH 8 9 ENDBRANCH 5 8 ENDBRANCH 1 5 BRANCH 1 24 ATOM 24 C LIG 1 -0.691 -1.960 0.159 0.00 0.00 +0.025 C BRANCH 24 25 ATOM 25 C LIG 1 -2.217 -1.692 0.301 0.00 0.00 -0.003 C BRANCH 25 26 ATOM 26 C LIG 1 -2.521 -0.530 1.306 0.00 0.00 -0.014 C ATOM 27 C LIG 1 -2.120 -0.894 2.741 0.00 0.00 +0.007 C ATOM 28 C LIG 1 -1.890 0.812 0.924 0.00 0.00 +0.007 C ENDBRANCH 25 26 BRANCH 25 29 ATOM 29 C LIG 1 -2.862 -1.460 -1.091 0.00 0.00 +0.039 C BRANCH 29 34 ATOM 30 C LIG 1 -6.362 0.076 -1.185 0.00 0.00 +0.162 A ATOM 31 C LIG 1 -7.168 -1.060 -0.973 0.00 0.00 +0.162 A ATOM 32 C LIG 1 -6.567 -2.312 -0.809 0.00 0.00 +0.049 A ATOM 33 C LIG 1 -5.177 -2.442 -0.851 0.00 0.00 +0.007 A ATOM 34 C LIG 1 -4.367 -1.323 -1.065 0.00 0.00 -0.043 A ATOM 35 C LIG 1 -4.970 -0.069 -1.238 0.00 0.00 +0.053 A BRANCH 31 36 ATOM 36 O LIG 1 -8.524 -0.839 -0.935 0.00 0.00 -0.491 OA ATOM 37 C LIG 1 -9.368 -1.969 -0.771 0.00 0.00 +0.277 C ENDBRANCH 31 36 BRANCH 30 38 ATOM 38 O LIG 1 -7.027 1.271 -1.314 0.00 0.00 -0.488 OA BRANCH 38 39 ATOM 39 C LIG 1 -6.271 2.473 -1.472 0.00 0.00 +0.231 C BRANCH 39 40 ATOM 40 C LIG 1 -5.808 3.006 -0.117 0.00 0.00 +0.069 C BRANCH 40 41 ATOM 41 C LIG 1 -4.960 4.261 -0.261 0.00 0.00 +0.163 C BRANCH 41 43 ATOM 42 C LIG 1 -2.907 5.059 -1.100 0.00 0.00 +0.193 C ATOM 43 O LIG 1 -3.764 3.932 -0.965 0.00 0.00 -0.383 OA ENDBRANCH 41 43 ENDBRANCH 40 41 ENDBRANCH 39 40 ENDBRANCH 38 39 ENDBRANCH 30 38 ENDBRANCH 29 34 ENDBRANCH 25 29 ENDBRANCH 24 25 ENDBRANCH 1 24 TORSDOF 21