REMARK Name = BDB029325 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.579 -0.834 -0.194 0.00 0.00 +0.056 A ATOM 2 N LIG 1 3.697 -2.054 0.419 0.00 0.00 -0.255 NA ATOM 3 C LIG 1 2.591 -2.771 0.752 0.00 0.00 +0.050 A ATOM 4 C LIG 1 1.349 -2.254 0.461 0.00 0.00 +0.004 A ATOM 5 C LIG 1 -0.006 -2.806 0.719 0.00 0.00 +0.151 C ATOM 6 N LIG 1 -0.895 -1.790 0.166 0.00 0.00 -0.263 N ATOM 7 C LIG 1 -0.169 -0.713 -0.354 0.00 0.00 +0.252 C ATOM 8 O LIG 1 -0.530 0.326 -0.879 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 1.251 -1.025 -0.167 0.00 0.00 +0.045 A ATOM 10 C LIG 1 2.351 -0.278 -0.516 0.00 0.00 +0.038 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -2.310 -1.917 0.220 0.00 0.00 +0.037 A ATOM 12 C LIG 1 -3.154 -0.926 -0.300 0.00 0.00 +0.027 A ATOM 13 C LIG 1 -4.567 -0.981 -0.236 0.00 0.00 -0.039 A ATOM 14 C LIG 1 -5.113 -2.116 0.386 0.00 0.00 +0.004 A ATOM 15 C LIG 1 -4.303 -3.131 0.894 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -2.913 -3.032 0.810 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 -5.485 0.224 -0.810 0.00 0.00 +0.005 C ATOM 18 C LIG 1 -5.030 0.883 -2.170 0.00 0.00 +0.030 C ATOM 19 C LIG 1 -5.904 -0.159 -2.907 0.00 0.00 +0.093 C ATOM 20 C LIG 1 -6.765 -0.213 -1.624 0.00 0.00 +0.030 C BRANCH 19 21 ATOM 21 C LIG 1 -6.576 0.318 -4.095 0.00 0.00 +0.066 C ATOM 22 N LIG 1 -7.117 0.714 -5.042 0.00 0.00 -0.196 NA ENDBRANCH 19 21 BRANCH 17 23 ATOM 23 C LIG 1 -5.857 1.227 0.304 0.00 0.00 +0.088 C BRANCH 23 24 ATOM 24 C LIG 1 -4.758 1.618 1.234 0.00 0.00 +0.134 A ATOM 25 N LIG 1 -3.709 2.458 0.961 0.00 0.00 -0.320 N ATOM 26 C LIG 1 -3.426 3.180 -0.248 0.00 0.00 +0.151 C ATOM 27 C LIG 1 -2.952 2.500 2.093 0.00 0.00 +0.224 A ATOM 28 N LIG 1 -3.511 1.766 3.023 0.00 0.00 -0.138 NA ATOM 29 N LIG 1 -4.649 1.216 2.487 0.00 0.00 -0.135 NA ENDBRANCH 23 24 ENDBRANCH 17 23 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 3 30 ATOM 30 C LIG 1 2.765 -4.096 1.450 0.00 0.00 +0.038 C ATOM 31 C LIG 1 2.404 -5.383 0.743 0.00 0.00 +0.010 C ATOM 32 C LIG 1 3.843 -5.053 0.994 0.00 0.00 +0.010 C ENDBRANCH 3 30 BRANCH 1 33 ATOM 33 C LIG 1 4.865 -0.086 -0.517 0.00 0.00 +0.139 C BRANCH 33 37 ATOM 34 C LIG 1 3.826 4.180 0.597 0.00 0.00 +0.009 C ATOM 35 C LIG 1 4.637 3.006 0.050 0.00 0.00 +0.000 C ATOM 36 C LIG 1 4.621 1.827 1.039 0.00 0.00 +0.088 C ATOM 37 N LIG 1 5.431 0.679 0.612 0.00 0.00 -0.296 NA ATOM 38 C LIG 1 6.815 1.095 0.345 0.00 0.00 +0.085 C ATOM 39 C LIG 1 6.931 2.241 -0.663 0.00 0.00 +0.016 C ATOM 40 C LIG 1 6.079 3.436 -0.245 0.00 0.00 +0.006 C ENDBRANCH 33 37 ENDBRANCH 1 33 TORSDOF 8