REMARK Name = BDB024686 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.643 -0.803 1.438 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.544 -1.295 0.713 0.00 0.00 -0.234 N ATOM 3 C LIG 1 4.732 -2.590 0.025 0.00 0.00 +0.082 C ATOM 4 C LIG 1 5.667 -2.448 -1.188 0.00 0.00 +0.028 C ATOM 5 C LIG 1 3.438 -3.268 -0.451 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.317 -3.044 0.541 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.108 -1.562 0.650 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.821 -0.987 0.687 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.399 -1.604 0.622 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -1.307 -0.648 0.647 0.00 0.00 +0.112 A ATOM 11 N LIG 1 -0.707 0.589 0.796 0.00 0.00 -0.324 N ATOM 12 C LIG 1 0.665 0.388 0.791 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.764 1.251 0.854 0.00 0.00 +0.030 A ATOM 14 C LIG 1 3.040 0.672 0.822 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.233 -0.713 0.741 0.00 0.00 +0.045 A ATOM 16 O LIG 1 6.762 -1.311 1.399 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.337 1.901 0.914 0.00 0.00 +0.090 C ATOM 18 C LIG 1 -2.278 2.041 2.131 0.00 0.00 +0.043 C ATOM 19 C LIG 1 -3.300 3.186 1.992 0.00 0.00 +0.093 C ATOM 20 C LIG 1 -2.754 4.314 1.109 0.00 0.00 +0.018 C ATOM 21 C LIG 1 -2.386 3.858 -0.308 0.00 0.00 +0.003 C ATOM 22 C LIG 1 -1.958 2.391 -0.398 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 -4.588 2.691 1.466 0.00 0.00 +0.066 C ATOM 24 N LIG 1 -5.582 2.294 1.021 0.00 0.00 -0.196 NA ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 26 ATOM 25 C LIG 1 6.462 0.711 3.034 0.00 0.00 +0.282 C ATOM 26 O LIG 1 5.359 0.253 2.253 0.00 0.00 -0.453 OA ENDBRANCH 1 26 BRANCH 10 27 ATOM 27 C LIG 1 -2.778 -0.927 0.534 0.00 0.00 +0.093 C BRANCH 27 28 ATOM 28 C LIG 1 -3.099 -1.795 -0.700 0.00 0.00 +0.135 C BRANCH 28 29 ATOM 29 C LIG 1 -3.044 -0.984 -1.988 0.00 0.00 -0.033 A ATOM 30 C LIG 1 -4.095 -0.137 -2.375 0.00 0.00 +0.004 A ATOM 31 C LIG 1 -3.997 0.628 -3.539 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -2.847 0.562 -4.324 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -1.794 -0.268 -3.948 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -1.890 -1.034 -2.786 0.00 0.00 +0.004 A ENDBRANCH 28 29 BRANCH 28 35 ATOM 35 C LIG 1 -4.438 -2.474 -0.500 0.00 0.00 +0.313 C ATOM 36 O LIG 1 -5.376 -2.064 0.166 0.00 0.00 -0.250 OA BRANCH 35 37 ATOM 37 O LIG 1 -4.547 -3.639 -1.173 0.00 0.00 -0.480 OA ATOM 38 H LIG 1 -5.459 -3.942 -0.975 0.00 0.00 +0.295 HD ENDBRANCH 35 37 ENDBRANCH 28 35 ENDBRANCH 27 28 ENDBRANCH 10 27 TORSDOF 8