REMARK Name = BDB058324 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.334 0.115 2.003 0.00 0.00 +0.161 C ENDROOT BRANCH 1 3 ATOM 2 C LIG 1 -1.841 -1.149 0.446 0.00 0.00 +0.113 A ATOM 3 N LIG 1 -1.392 0.035 0.993 0.00 0.00 -0.292 N ATOM 4 C LIG 1 -1.938 1.240 0.586 0.00 0.00 +0.258 A ATOM 5 O LIG 1 -1.610 2.337 1.039 0.00 0.00 -0.267 OA ATOM 6 C LIG 1 -2.977 1.171 -0.468 0.00 0.00 +0.049 A ATOM 7 C LIG 1 -3.293 -0.040 -0.955 0.00 0.00 +0.055 A ATOM 8 N LIG 1 -2.732 -1.200 -0.490 0.00 0.00 -0.238 NA BRANCH 7 9 ATOM 9 C LIG 1 -4.325 -0.273 -1.990 0.00 0.00 +0.038 C ATOM 10 C LIG 1 -4.050 0.140 -3.418 0.00 0.00 +0.010 C ATOM 11 C LIG 1 -4.107 -1.315 -3.063 0.00 0.00 +0.010 C ENDBRANCH 7 9 BRANCH 2 12 ATOM 12 C LIG 1 -1.261 -2.465 0.973 0.00 0.00 +0.074 C BRANCH 12 13 ATOM 13 C LIG 1 -1.761 -3.734 0.273 0.00 0.00 +0.007 C BRANCH 13 15 ATOM 14 C LIG 1 -3.636 -5.395 -0.005 0.00 0.00 +0.004 C ATOM 15 C LIG 1 -3.165 -4.146 0.725 0.00 0.00 -0.003 C ENDBRANCH 13 15 ENDBRANCH 12 13 ENDBRANCH 2 12 BRANCH 6 16 ATOM 16 C LIG 1 -3.588 2.481 -0.877 0.00 0.00 +0.163 C BRANCH 16 17 ATOM 17 C LIG 1 -4.460 3.022 0.240 0.00 0.00 +0.311 C ATOM 18 O LIG 1 -5.004 2.351 1.107 0.00 0.00 -0.250 OA BRANCH 17 19 ATOM 19 O LIG 1 -4.610 4.370 0.092 0.00 0.00 -0.468 OA ATOM 20 C LIG 1 -5.411 4.977 1.108 0.00 0.00 +0.280 C ENDBRANCH 17 19 ENDBRANCH 16 17 ENDBRANCH 6 16 ENDBRANCH 1 3 BRANCH 1 21 ATOM 21 C LIG 1 1.022 0.508 1.445 0.00 0.00 -0.028 A ATOM 22 C LIG 1 1.875 1.302 2.226 0.00 0.00 +0.006 A ATOM 23 C LIG 1 3.149 1.652 1.767 0.00 0.00 +0.009 A ATOM 24 C LIG 1 3.610 1.208 0.521 0.00 0.00 -0.017 A ATOM 25 C LIG 1 2.759 0.411 -0.258 0.00 0.00 +0.009 A ATOM 26 C LIG 1 1.484 0.060 0.199 0.00 0.00 +0.006 A BRANCH 24 27 ATOM 27 C LIG 1 4.947 1.583 0.041 0.00 0.00 -0.007 A ATOM 28 C LIG 1 6.039 0.691 0.012 0.00 0.00 +0.028 A ATOM 29 C LIG 1 7.286 1.101 -0.489 0.00 0.00 +0.012 A ATOM 30 C LIG 1 7.458 2.401 -0.966 0.00 0.00 +0.001 A ATOM 31 C LIG 1 6.390 3.295 -0.944 0.00 0.00 +0.001 A ATOM 32 C LIG 1 5.149 2.890 -0.446 0.00 0.00 +0.009 A BRANCH 28 33 ATOM 33 C LIG 1 5.924 -0.685 0.519 0.00 0.00 +0.183 A ATOM 34 N LIG 1 6.399 -1.707 -0.209 0.00 0.00 -0.271 N ATOM 35 H LIG 1 6.817 -1.702 -1.123 0.00 0.00 +0.174 HD ATOM 36 C LIG 1 6.128 -2.826 0.479 0.00 0.00 +0.440 A ATOM 37 O LIG 1 6.374 -3.964 0.111 0.00 0.00 -0.221 OA ATOM 38 O LIG 1 5.518 -2.477 1.658 0.00 0.00 -0.295 OA ATOM 39 N LIG 1 5.399 -1.048 1.640 0.00 0.00 -0.054 NA ENDBRANCH 28 33 ENDBRANCH 24 27 ENDBRANCH 1 21 TORSDOF 11