REMARK Name = BDB034372 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.092 0.380 -2.524 0.00 0.00 -0.343 N ATOM 2 H LIG 1 -0.036 1.142 -1.855 0.00 0.00 +0.146 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 0.697 -0.718 -2.141 0.00 0.00 +0.038 A ATOM 4 C LIG 1 1.910 -0.514 -1.415 0.00 0.00 +0.021 A ATOM 5 C LIG 1 2.679 -1.653 -1.076 0.00 0.00 +0.073 A ATOM 6 C LIG 1 3.852 -1.491 -0.348 0.00 0.00 +0.032 A ATOM 7 C LIG 1 4.318 -0.234 0.059 0.00 0.00 -0.045 A ATOM 8 C LIG 1 3.583 0.895 -0.293 0.00 0.00 +0.004 A ATOM 9 N LIG 1 2.340 -2.899 -1.433 0.00 0.00 -0.255 NA ATOM 10 C LIG 1 1.226 -3.057 -2.168 0.00 0.00 +0.113 A ATOM 11 C LIG 1 2.399 0.756 -1.019 0.00 0.00 +0.012 A ATOM 12 C LIG 1 0.398 -2.018 -2.551 0.00 0.00 +0.043 A BRANCH 7 13 ATOM 13 C LIG 1 5.610 -0.107 0.826 0.00 0.00 +0.040 C BRANCH 13 14 ATOM 14 C LIG 1 6.817 -0.013 -0.111 0.00 0.00 +0.040 C BRANCH 14 15 ATOM 15 C LIG 1 8.108 0.122 0.659 0.00 0.00 -0.047 A ATOM 16 C LIG 1 8.807 -1.017 1.079 0.00 0.00 +0.003 A ATOM 17 C LIG 1 9.990 -0.892 1.808 0.00 0.00 +0.000 A ATOM 18 C LIG 1 10.483 0.372 2.127 0.00 0.00 +0.000 A ATOM 19 C LIG 1 9.793 1.512 1.719 0.00 0.00 +0.000 A ATOM 20 C LIG 1 8.609 1.389 0.990 0.00 0.00 +0.003 A ENDBRANCH 14 15 ENDBRANCH 13 14 ENDBRANCH 7 13 ENDBRANCH 1 3 BRANCH 1 21 ATOM 21 C LIG 1 -1.424 0.240 -3.108 0.00 0.00 +0.103 C BRANCH 21 22 ATOM 22 C LIG 1 -2.488 -0.192 -2.096 0.00 0.00 +0.034 C BRANCH 22 23 ATOM 23 C LIG 1 -2.765 0.883 -1.041 0.00 0.00 +0.083 C BRANCH 23 24 ATOM 24 N LIG 1 -3.790 0.479 -0.075 0.00 0.00 -0.312 NA ATOM 25 H LIG 1 -3.765 1.124 0.717 0.00 0.00 +0.122 HD BRANCH 24 26 ATOM 26 C LIG 1 -5.149 0.540 -0.634 0.00 0.00 +0.120 C BRANCH 26 29 ATOM 27 C LIG 1 -8.348 0.649 1.494 0.00 0.00 +0.162 A ATOM 28 C LIG 1 -7.359 0.971 0.550 0.00 0.00 +0.163 A ATOM 29 C LIG 1 -6.195 0.209 0.407 0.00 0.00 +0.011 A ATOM 30 C LIG 1 -6.052 -0.923 1.225 0.00 0.00 +0.009 A ATOM 31 C LIG 1 -7.026 -1.254 2.170 0.00 0.00 +0.004 A ATOM 32 C LIG 1 -8.173 -0.469 2.307 0.00 0.00 +0.049 A BRANCH 27 34 ATOM 33 C LIG 1 -10.448 1.211 2.460 0.00 0.00 +0.277 C ATOM 34 O LIG 1 -9.425 1.501 1.514 0.00 0.00 -0.491 OA ENDBRANCH 27 34 BRANCH 28 35 ATOM 35 O LIG 1 -7.553 2.067 -0.254 0.00 0.00 -0.503 OA ATOM 36 H LIG 1 -8.417 2.431 0.025 0.00 0.00 +0.292 HD ENDBRANCH 28 35 ENDBRANCH 26 29 ENDBRANCH 24 26 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 1 21 TORSDOF 12