REMARK Name = BDB001098 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.464 0.205 1.932 0.00 0.00 +0.072 A ATOM 2 C LIG 1 -2.046 1.077 2.846 0.00 0.00 +0.135 A ATOM 3 F LIG 1 -1.399 1.439 3.963 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -3.318 1.591 2.615 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -4.018 1.215 1.466 0.00 0.00 +0.010 A ATOM 6 C LIG 1 -3.453 0.318 0.544 0.00 0.00 -0.010 A ATOM 7 C LIG 1 -2.172 -0.196 0.792 0.00 0.00 +0.023 A ENDROOT BRANCH 1 13 ATOM 8 C LIG 1 4.074 2.262 -0.024 0.00 0.00 +0.256 C ATOM 9 N LIG 1 3.268 1.687 0.956 0.00 0.00 -0.295 N ATOM 10 C LIG 1 2.338 2.532 1.711 0.00 0.00 +0.127 C ATOM 11 C LIG 1 0.943 1.893 1.802 0.00 0.00 +0.127 C ATOM 12 N LIG 1 0.976 0.474 2.192 0.00 0.00 -0.294 N ATOM 13 C LIG 1 -0.130 -0.369 2.176 0.00 0.00 +0.249 C ATOM 14 O LIG 1 -0.057 -1.590 2.302 0.00 0.00 -0.270 OA ATOM 15 C LIG 1 2.301 -0.096 2.440 0.00 0.00 +0.127 C ATOM 16 C LIG 1 3.285 0.260 1.316 0.00 0.00 +0.127 C ATOM 17 O LIG 1 4.004 3.468 -0.277 0.00 0.00 -0.272 OA BRANCH 8 19 ATOM 18 C LIG 1 5.690 2.099 -1.955 0.00 0.00 +0.062 C ATOM 19 C LIG 1 5.019 1.327 -0.818 0.00 0.00 +0.256 C BRANCH 19 20 ATOM 20 O LIG 1 6.024 0.843 0.074 0.00 0.00 -0.480 OA BRANCH 20 21 ATOM 21 C LIG 1 6.602 -0.372 -0.164 0.00 0.00 +0.122 A ATOM 22 C LIG 1 7.488 -0.792 0.833 0.00 0.00 +0.045 A ATOM 23 C LIG 1 8.148 -2.018 0.733 0.00 0.00 +0.004 A ATOM 24 C LIG 1 7.926 -2.835 -0.372 0.00 0.00 +0.000 A ATOM 25 C LIG 1 7.050 -2.422 -1.374 0.00 0.00 +0.004 A ATOM 26 C LIG 1 6.389 -1.192 -1.272 0.00 0.00 +0.045 A ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 8 19 ENDBRANCH 1 13 BRANCH 6 27 ATOM 27 C LIG 1 -4.238 -0.110 -0.672 0.00 0.00 +0.264 C BRANCH 27 28 ATOM 28 O LIG 1 -5.251 -1.027 -0.243 0.00 0.00 -0.487 OA BRANCH 28 29 ATOM 29 C LIG 1 -6.058 -1.383 -1.290 0.00 0.00 +0.133 A ATOM 30 C LIG 1 -7.331 -0.819 -1.454 0.00 0.00 +0.081 A ATOM 31 C LIG 1 -8.161 -1.266 -2.489 0.00 0.00 +0.055 A ATOM 32 C LIG 1 -7.716 -2.280 -3.329 0.00 0.00 +0.124 A ATOM 33 F LIG 1 -8.511 -2.708 -4.319 0.00 0.00 -0.205 F ATOM 34 C LIG 1 -6.466 -2.864 -3.157 0.00 0.00 +0.042 A ATOM 35 C LIG 1 -5.635 -2.420 -2.129 0.00 0.00 +0.049 A BRANCH 30 36 ATOM 36 C LIG 1 -7.810 0.268 -0.569 0.00 0.00 +0.245 C ATOM 37 O LIG 1 -7.114 1.229 -0.273 0.00 0.00 -0.270 OA ATOM 38 N LIG 1 -9.092 0.144 -0.105 0.00 0.00 -0.325 N ATOM 39 H LIG 1 -9.590 -0.735 -0.141 0.00 0.00 +0.145 HD ATOM 40 H LIG 1 -9.380 0.816 0.596 0.00 0.00 +0.145 HD ENDBRANCH 30 36 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 6 27 TORSDOF 8