REMARK Name = BDB024808 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.520 -2.086 -0.410 0.00 0.00 +0.407 C ATOM 2 N LIG 1 -4.423 -1.735 0.398 0.00 0.00 -0.234 N ATOM 3 C LIG 1 -4.567 -1.712 1.875 0.00 0.00 +0.082 C ATOM 4 C LIG 1 -4.719 -3.135 2.447 0.00 0.00 +0.028 C ATOM 5 C LIG 1 -3.409 -1.041 2.631 0.00 0.00 +0.027 C ATOM 6 C LIG 1 -2.922 0.183 1.889 0.00 0.00 +0.041 C ATOM 7 C LIG 1 -2.450 -0.270 0.538 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -1.283 0.256 -0.055 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.391 1.172 0.446 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 0.526 1.343 -0.484 0.00 0.00 +0.113 A ATOM 11 N LIG 1 0.262 0.543 -1.575 0.00 0.00 -0.319 N ATOM 12 C LIG 1 -0.896 -0.159 -1.322 0.00 0.00 +0.070 A ATOM 13 C LIG 1 -1.616 -1.103 -2.053 0.00 0.00 +0.030 A ATOM 14 C LIG 1 -2.777 -1.615 -1.459 0.00 0.00 +0.026 A ATOM 15 C LIG 1 -3.215 -1.213 -0.187 0.00 0.00 +0.045 A ATOM 16 O LIG 1 -5.546 -2.096 -1.636 0.00 0.00 -0.226 OA ENDROOT BRANCH 1 18 ATOM 17 C LIG 1 -7.783 -2.728 -0.446 0.00 0.00 +0.282 C ATOM 18 O LIG 1 -6.630 -2.389 0.327 0.00 0.00 -0.453 OA ENDBRANCH 1 18 BRANCH 11 19 ATOM 19 C LIG 1 1.079 0.403 -2.770 0.00 0.00 +0.219 C BRANCH 19 20 ATOM 20 C LIG 1 2.133 -0.691 -2.696 0.00 0.00 +0.233 C ATOM 21 N LIG 1 2.320 -1.316 -1.482 0.00 0.00 -0.313 N ATOM 22 H LIG 1 1.586 -1.272 -0.786 0.00 0.00 +0.149 HD ATOM 23 O LIG 1 2.805 -0.971 -3.690 0.00 0.00 -0.274 OA BRANCH 21 24 ATOM 24 C LIG 1 3.329 -2.351 -1.314 0.00 0.00 +0.110 C BRANCH 24 25 ATOM 25 C LIG 1 3.615 -2.658 0.152 0.00 0.00 +0.074 C BRANCH 25 26 ATOM 26 C LIG 1 4.275 -1.500 0.857 0.00 0.00 +0.043 A ATOM 27 N LIG 1 5.609 -1.347 0.666 0.00 0.00 -0.260 NA ATOM 28 C LIG 1 6.208 -0.298 1.271 0.00 0.00 +0.111 A ATOM 29 C LIG 1 5.539 0.615 2.068 0.00 0.00 +0.020 A ATOM 30 C LIG 1 4.173 0.442 2.258 0.00 0.00 +0.003 A ATOM 31 C LIG 1 3.527 -0.628 1.646 0.00 0.00 +0.023 A ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 21 24 ENDBRANCH 19 20 ENDBRANCH 11 19 BRANCH 10 32 ATOM 32 C LIG 1 1.685 2.275 -0.362 0.00 0.00 +0.097 C BRANCH 32 33 ATOM 33 C LIG 1 1.269 3.691 -0.734 0.00 0.00 +0.151 C BRANCH 33 34 ATOM 34 N LIG 1 2.380 4.614 -0.625 0.00 0.00 -0.271 N ATOM 35 N LIG 1 3.314 4.644 -1.594 0.00 0.00 -0.180 NA ATOM 36 C LIG 1 4.163 5.590 -1.182 0.00 0.00 +0.134 A ATOM 37 C LIG 1 3.777 6.158 0.047 0.00 0.00 +0.041 A ATOM 38 C LIG 1 2.616 5.502 0.385 0.00 0.00 +0.108 A ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 10 32 TORSDOF 9