REMARK Name = BDB010156 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.636 -1.669 -0.238 0.00 0.00 +0.149 A ATOM 2 C LIG 1 -0.286 -1.332 -0.241 0.00 0.00 +0.130 A ATOM 3 C LIG 1 0.595 -2.013 0.583 0.00 0.00 +0.185 A ATOM 4 N LIG 1 1.875 -1.581 0.420 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 1.819 -0.623 -0.471 0.00 0.00 +0.201 A ATOM 6 N LIG 1 0.238 -2.988 1.431 0.00 0.00 -0.200 NA ATOM 7 C LIG 1 -1.077 -3.229 1.411 0.00 0.00 +0.242 A ATOM 8 N LIG 1 0.509 -0.390 -0.860 0.00 0.00 -0.303 N ATOM 9 N LIG 1 -2.007 -2.631 0.628 0.00 0.00 -0.205 NA ENDROOT BRANCH 1 10 ATOM 10 N LIG 1 -2.572 -1.073 -1.085 0.00 0.00 -0.324 N ATOM 11 H LIG 1 -2.214 -1.107 -2.035 0.00 0.00 +0.148 HD BRANCH 10 13 ATOM 12 C LIG 1 -4.644 -1.253 -2.339 0.00 0.00 +0.028 C ATOM 13 C LIG 1 -3.958 -1.570 -1.005 0.00 0.00 +0.072 C BRANCH 13 14 ATOM 14 C LIG 1 -4.693 -0.947 0.191 0.00 0.00 +0.009 C ATOM 15 C LIG 1 -6.210 -1.226 0.401 0.00 0.00 +0.005 C ATOM 16 C LIG 1 -6.301 0.173 1.046 0.00 0.00 +0.001 C ATOM 17 C LIG 1 -5.065 0.565 0.208 0.00 0.00 +0.005 C ENDBRANCH 13 14 ENDBRANCH 10 13 ENDBRANCH 1 10 BRANCH 5 18 ATOM 18 N LIG 1 2.849 0.118 -0.971 0.00 0.00 -0.297 N ATOM 19 C LIG 1 3.395 -0.394 -2.236 0.00 0.00 +0.133 C BRANCH 18 20 ATOM 20 C LIG 1 3.885 0.629 -0.024 0.00 0.00 +0.103 C ATOM 21 C LIG 1 3.310 1.120 1.313 0.00 0.00 +0.033 C BRANCH 20 22 ATOM 22 C LIG 1 5.091 -0.289 0.160 0.00 0.00 -0.027 A ATOM 23 C LIG 1 6.313 0.033 -0.459 0.00 0.00 +0.005 A ATOM 24 C LIG 1 7.433 -0.788 -0.309 0.00 0.00 +0.000 A ATOM 25 C LIG 1 7.351 -1.944 0.462 0.00 0.00 +0.000 A ATOM 26 C LIG 1 6.150 -2.278 1.083 0.00 0.00 +0.000 A ATOM 27 C LIG 1 5.030 -1.457 0.934 0.00 0.00 +0.005 A ENDBRANCH 20 22 ENDBRANCH 18 20 ENDBRANCH 5 18 BRANCH 7 28 ATOM 28 C LIG 1 -1.564 -4.297 2.355 0.00 0.00 +0.375 C ATOM 29 O LIG 1 -0.892 -4.954 3.134 0.00 0.00 -0.242 OA BRANCH 28 30 ATOM 30 O LIG 1 -2.901 -4.508 2.286 0.00 0.00 -0.475 OA ATOM 31 H LIG 1 -3.056 -5.211 2.950 0.00 0.00 +0.296 HD ENDBRANCH 28 30 ENDBRANCH 7 28 BRANCH 8 32 ATOM 32 C LIG 1 0.073 0.707 -1.709 0.00 0.00 +0.160 C BRANCH 32 33 ATOM 33 C LIG 1 -0.113 1.994 -0.941 0.00 0.00 -0.028 A ATOM 34 C LIG 1 -1.226 2.183 -0.111 0.00 0.00 +0.006 A ATOM 35 C LIG 1 -1.391 3.374 0.600 0.00 0.00 +0.013 A ATOM 36 C LIG 1 -0.442 4.402 0.499 0.00 0.00 +0.055 A ATOM 37 C LIG 1 0.666 4.218 -0.339 0.00 0.00 +0.013 A ATOM 38 C LIG 1 0.830 3.025 -1.048 0.00 0.00 +0.006 A BRANCH 36 39 ATOM 39 C LIG 1 -0.630 5.697 1.249 0.00 0.00 +0.417 C ATOM 40 F LIG 1 0.548 6.285 1.603 0.00 0.00 -0.166 F ATOM 41 F LIG 1 -1.304 6.625 0.515 0.00 0.00 -0.166 F ATOM 42 F LIG 1 -1.334 5.553 2.406 0.00 0.00 -0.166 F ENDBRANCH 36 39 ENDBRANCH 32 33 ENDBRANCH 8 32 TORSDOF 11