REMARK Name = BDB020137 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.147 -0.888 0.184 0.00 0.00 +0.038 A ATOM 2 C LIG 1 -0.209 0.464 0.086 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -1.513 0.887 0.390 0.00 0.00 -0.015 A ATOM 4 C LIG 1 -2.456 -0.068 0.800 0.00 0.00 +0.014 A ATOM 5 C LIG 1 -2.126 -1.430 0.881 0.00 0.00 -0.026 A ATOM 6 C LIG 1 -0.821 -1.830 0.562 0.00 0.00 +0.018 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -1.881 2.305 0.283 0.00 0.00 +0.012 A ATOM 8 C LIG 1 -2.637 2.833 -0.780 0.00 0.00 +0.151 A ATOM 9 N LIG 1 -2.974 4.162 -0.840 0.00 0.00 -0.250 NA ATOM 10 C LIG 1 -2.554 4.976 0.149 0.00 0.00 +0.111 A ATOM 11 C LIG 1 -1.804 4.543 1.223 0.00 0.00 +0.020 A ATOM 12 C LIG 1 -1.467 3.196 1.288 0.00 0.00 +0.012 A BRANCH 8 13 ATOM 13 C LIG 1 -3.117 1.931 -1.912 0.00 0.00 +0.435 C ATOM 14 F LIG 1 -4.037 1.008 -1.499 0.00 0.00 -0.164 F ATOM 15 F LIG 1 -2.110 1.218 -2.497 0.00 0.00 -0.164 F ATOM 16 F LIG 1 -3.721 2.602 -2.937 0.00 0.00 -0.164 F ENDBRANCH 8 13 ENDBRANCH 3 7 BRANCH 1 19 ATOM 17 N LIG 1 2.539 -0.461 -0.072 0.00 0.00 -0.302 N ATOM 18 H LIG 1 2.399 0.483 0.262 0.00 0.00 +0.150 HD ATOM 19 C LIG 1 1.521 -1.380 -0.126 0.00 0.00 +0.245 C ATOM 20 O LIG 1 1.708 -2.564 -0.383 0.00 0.00 -0.270 OA BRANCH 17 22 ATOM 21 C LIG 1 4.185 -0.917 -1.841 0.00 0.00 +0.036 C ATOM 22 C LIG 1 3.933 -0.823 -0.337 0.00 0.00 +0.138 C BRANCH 22 23 ATOM 23 C LIG 1 4.889 0.194 0.281 0.00 0.00 +0.149 A ATOM 24 N LIG 1 4.404 1.436 0.549 0.00 0.00 -0.236 NA ATOM 25 C LIG 1 5.279 2.318 1.082 0.00 0.00 +0.152 A ATOM 26 C LIG 1 6.590 2.012 1.354 0.00 0.00 +0.159 A ATOM 27 F LIG 1 7.428 2.909 1.884 0.00 0.00 -0.202 F ATOM 28 C LIG 1 6.988 0.735 1.052 0.00 0.00 +0.152 A ATOM 29 N LIG 1 6.163 -0.193 0.515 0.00 0.00 -0.236 NA ENDBRANCH 22 23 ENDBRANCH 17 22 ENDBRANCH 1 19 BRANCH 5 30 ATOM 30 C LIG 1 -3.173 -2.452 1.263 0.00 0.00 +0.161 C BRANCH 30 31 ATOM 31 N LIG 1 -3.696 -3.126 0.097 0.00 0.00 -0.295 N ATOM 32 C LIG 1 -3.446 -4.433 -0.269 0.00 0.00 +0.296 A ATOM 33 N LIG 1 -2.721 -5.339 0.277 0.00 0.00 -0.250 NA ATOM 34 H LIG 1 -2.261 -4.977 1.108 0.00 0.00 +0.191 HD ATOM 35 O LIG 1 -4.138 -4.747 -1.434 0.00 0.00 -0.431 OA ATOM 36 C LIG 1 -4.785 -3.540 -1.714 0.00 0.00 +0.217 A ATOM 37 C LIG 1 -4.540 -2.582 -0.829 0.00 0.00 +0.129 A ENDBRANCH 30 31 ENDBRANCH 5 30 TORSDOF 7