REMARK Name = BDB019898 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.168 0.805 -0.319 0.00 0.00 -0.013 A ATOM 2 C LIG 1 -1.235 1.438 0.509 0.00 0.00 +0.021 A ATOM 3 C LIG 1 0.014 0.852 0.735 0.00 0.00 +0.038 A ATOM 4 C LIG 1 0.319 -0.389 0.169 0.00 0.00 +0.018 A ATOM 5 C LIG 1 -0.601 -1.038 -0.667 0.00 0.00 -0.029 A ATOM 6 C LIG 1 -1.845 -0.429 -0.903 0.00 0.00 +0.013 A ENDROOT BRANCH 1 10 ATOM 7 N LIG 1 -5.399 2.364 -0.183 0.00 0.00 -0.271 N ATOM 8 N LIG 1 -5.349 2.274 -1.523 0.00 0.00 -0.167 NA ATOM 9 C LIG 1 -4.150 1.708 -1.780 0.00 0.00 +0.173 A ATOM 10 C LIG 1 -3.458 1.417 -0.565 0.00 0.00 +0.032 A ATOM 11 C LIG 1 -4.295 1.861 0.437 0.00 0.00 +0.117 A BRANCH 9 12 ATOM 12 C LIG 1 -3.660 1.450 -3.179 0.00 0.00 +0.437 C ATOM 13 F LIG 1 -4.387 2.080 -4.140 0.00 0.00 -0.164 F ATOM 14 F LIG 1 -3.687 0.121 -3.483 0.00 0.00 -0.164 F ATOM 15 F LIG 1 -2.370 1.852 -3.351 0.00 0.00 -0.164 F ENDBRANCH 9 12 BRANCH 7 17 ATOM 16 C LIG 1 -6.484 4.463 0.512 0.00 0.00 +0.029 C ATOM 17 C LIG 1 -6.562 2.948 0.459 0.00 0.00 +0.140 C ENDBRANCH 7 17 ENDBRANCH 1 10 BRANCH 3 18 ATOM 18 C LIG 1 0.963 1.534 1.644 0.00 0.00 +0.244 C ATOM 19 N LIG 1 2.300 1.584 1.343 0.00 0.00 -0.307 N ATOM 20 H LIG 1 2.821 2.070 2.062 0.00 0.00 +0.149 HD ATOM 21 O LIG 1 0.544 2.045 2.679 0.00 0.00 -0.270 OA BRANCH 19 22 ATOM 22 C LIG 1 2.893 1.591 0.018 0.00 0.00 +0.141 C BRANCH 22 23 ATOM 23 C LIG 1 4.239 0.929 0.087 0.00 0.00 -0.014 A ATOM 24 C LIG 1 4.451 -0.326 -0.347 0.00 0.00 +0.094 A ATOM 25 N LIG 1 5.704 -0.914 -0.297 0.00 0.00 -0.318 N ATOM 26 C LIG 1 5.839 -2.290 -0.749 0.00 0.00 +0.152 C ATOM 27 C LIG 1 6.816 -0.257 0.222 0.00 0.00 +0.251 A ATOM 28 O LIG 1 7.942 -0.736 0.319 0.00 0.00 -0.268 OA ATOM 29 C LIG 1 6.583 1.139 0.683 0.00 0.00 +0.070 A ATOM 30 C LIG 1 5.362 1.683 0.611 0.00 0.00 +0.012 A ENDBRANCH 22 23 ENDBRANCH 19 22 ENDBRANCH 3 18 BRANCH 5 31 ATOM 31 C LIG 1 -0.259 -2.366 -1.307 0.00 0.00 +0.144 C BRANCH 31 32 ATOM 32 N LIG 1 -0.066 -3.413 -0.332 0.00 0.00 -0.278 N ATOM 33 C LIG 1 1.129 -3.733 0.222 0.00 0.00 +0.278 C ATOM 34 N LIG 1 2.307 -3.346 -0.088 0.00 0.00 -0.253 NA ATOM 35 H LIG 1 2.931 -3.815 0.581 0.00 0.00 +0.191 HD ATOM 36 O LIG 1 0.966 -4.583 1.270 0.00 0.00 -0.464 OA ATOM 37 C LIG 1 -0.429 -4.928 1.333 0.00 0.00 +0.251 C ATOM 38 C LIG 1 -1.149 -3.886 0.488 0.00 0.00 +0.151 C ENDBRANCH 31 32 ENDBRANCH 5 31 TORSDOF 8