REMARK Name = BDB025159 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.764 -1.620 -0.002 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.422 -1.984 0.209 0.00 0.00 -0.234 N ATOM 3 C LIG 1 4.045 -3.417 0.276 0.00 0.00 +0.082 C ATOM 4 C LIG 1 4.578 -4.077 1.561 0.00 0.00 +0.028 C ATOM 5 C LIG 1 2.535 -3.697 0.215 0.00 0.00 +0.027 C ATOM 6 C LIG 1 1.857 -2.764 -0.761 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.091 -1.363 -0.279 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.075 -0.385 -0.320 0.00 0.00 +0.098 A ATOM 9 N LIG 1 -0.225 -0.508 -0.746 0.00 0.00 -0.195 NA ATOM 10 C LIG 1 -0.756 0.681 -0.589 0.00 0.00 +0.299 A ATOM 11 N LIG 1 0.140 1.577 -0.060 0.00 0.00 -0.291 N ATOM 12 C LIG 1 1.337 0.913 0.109 0.00 0.00 +0.072 A ATOM 13 C LIG 1 2.591 1.302 0.581 0.00 0.00 +0.030 A ATOM 14 C LIG 1 3.595 0.325 0.609 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.375 -0.995 0.187 0.00 0.00 +0.045 A ATOM 16 O LIG 1 6.200 -0.479 -0.117 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -0.128 2.971 0.273 0.00 0.00 +0.092 C ATOM 18 C LIG 1 -1.254 3.129 1.303 0.00 0.00 +0.026 C ATOM 19 C LIG 1 -1.359 4.573 1.798 0.00 0.00 +0.017 C ATOM 20 C LIG 1 -1.187 5.628 0.695 0.00 0.00 +0.098 C ATOM 21 C LIG 1 -1.278 5.043 -0.721 0.00 0.00 +0.017 C ATOM 22 C LIG 1 -0.366 3.837 -0.974 0.00 0.00 +0.026 C BRANCH 20 23 ATOM 23 C LIG 1 0.114 6.391 0.900 0.00 0.00 +0.308 C ATOM 24 O LIG 1 1.172 6.122 0.354 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 0.004 7.395 1.798 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -0.887 7.502 2.182 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 20 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 7.956 -2.396 -0.367 0.00 0.00 +0.282 C ATOM 28 O LIG 1 6.584 -2.709 -0.121 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 O LIG 1 -2.009 1.018 -0.889 0.00 0.00 -0.464 OA BRANCH 29 30 ATOM 30 C LIG 1 -2.814 -0.028 -1.437 0.00 0.00 +0.232 C BRANCH 30 31 ATOM 31 C LIG 1 -3.457 -0.852 -0.320 0.00 0.00 +0.044 C BRANCH 31 32 ATOM 32 C LIG 1 -4.324 -1.992 -0.851 0.00 0.00 -0.008 C ATOM 33 C LIG 1 -4.948 -2.822 0.268 0.00 0.00 +0.003 C ATOM 34 C LIG 1 -6.042 -3.611 -0.440 0.00 0.00 +0.000 C ATOM 35 C LIG 1 -6.506 -2.728 -1.598 0.00 0.00 +0.000 C ATOM 36 C LIG 1 -5.551 -1.536 -1.639 0.00 0.00 +0.003 C ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 10 29 TORSDOF 8