REMARK Name = BDB029340 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.221 -0.367 -0.303 0.00 0.00 +0.267 C ATOM 2 N LIG 1 -1.032 -0.547 -1.408 0.00 0.00 -0.280 N ATOM 3 H LIG 1 -0.572 -1.030 -2.178 0.00 0.00 +0.155 HD ATOM 4 O LIG 1 -0.526 0.152 0.764 0.00 0.00 -0.268 OA ENDROOT BRANCH 1 9 ATOM 5 C LIG 1 3.392 -1.292 0.240 0.00 0.00 -0.029 A ATOM 6 C LIG 1 3.634 -1.907 -0.996 0.00 0.00 +0.028 A ATOM 7 C LIG 1 2.627 -1.994 -1.961 0.00 0.00 +0.046 A ATOM 8 N LIG 1 1.387 -1.502 -1.719 0.00 0.00 -0.247 NA ATOM 9 C LIG 1 1.165 -0.906 -0.513 0.00 0.00 +0.126 A ATOM 10 C LIG 1 2.119 -0.781 0.484 0.00 0.00 +0.038 A BRANCH 7 11 ATOM 11 C LIG 1 2.892 -2.654 -3.292 0.00 0.00 +0.038 C ATOM 12 C LIG 1 2.420 -1.995 -4.569 0.00 0.00 +0.010 C ATOM 13 C LIG 1 3.885 -2.045 -4.256 0.00 0.00 +0.010 C ENDBRANCH 7 11 BRANCH 5 14 ATOM 14 C LIG 1 4.484 -1.195 1.282 0.00 0.00 +0.119 C BRANCH 14 18 ATOM 15 C LIG 1 8.041 -0.190 3.823 0.00 0.00 +0.009 C ATOM 16 C LIG 1 6.773 0.040 3.002 0.00 0.00 +0.000 C ATOM 17 C LIG 1 6.844 -0.724 1.667 0.00 0.00 +0.088 C ATOM 18 N LIG 1 5.685 -0.506 0.787 0.00 0.00 -0.298 NA ATOM 19 C LIG 1 5.481 0.932 0.550 0.00 0.00 +0.085 C ATOM 20 C LIG 1 5.365 1.768 1.827 0.00 0.00 +0.016 C ATOM 21 C LIG 1 6.556 1.536 2.752 0.00 0.00 +0.006 C ENDBRANCH 14 18 ENDBRANCH 5 14 ENDBRANCH 1 9 BRANCH 2 22 ATOM 22 C LIG 1 -2.369 -0.156 -1.585 0.00 0.00 +0.034 A ATOM 23 C LIG 1 -3.104 0.555 -0.630 0.00 0.00 +0.027 A ATOM 24 C LIG 1 -4.452 0.933 -0.832 0.00 0.00 -0.039 A ATOM 25 C LIG 1 -5.033 0.538 -2.053 0.00 0.00 +0.004 A ATOM 26 C LIG 1 -4.313 -0.164 -3.020 0.00 0.00 +0.002 A ATOM 27 C LIG 1 -2.984 -0.505 -2.788 0.00 0.00 +0.023 A BRANCH 24 28 ATOM 28 C LIG 1 -5.286 1.740 0.303 0.00 0.00 +0.005 C ATOM 29 C LIG 1 -4.540 2.964 0.960 0.00 0.00 +0.030 C ATOM 30 C LIG 1 -5.196 3.867 -0.114 0.00 0.00 +0.093 C ATOM 31 C LIG 1 -6.329 2.817 -0.183 0.00 0.00 +0.030 C BRANCH 30 32 ATOM 32 C LIG 1 -5.580 5.187 0.329 0.00 0.00 +0.066 C ATOM 33 N LIG 1 -5.881 6.249 0.690 0.00 0.00 -0.196 NA ENDBRANCH 30 32 BRANCH 28 34 ATOM 34 C LIG 1 -5.830 0.755 1.357 0.00 0.00 +0.088 C BRANCH 34 35 ATOM 35 C LIG 1 -6.818 -0.200 0.779 0.00 0.00 +0.134 A ATOM 36 N LIG 1 -6.617 -1.544 0.599 0.00 0.00 -0.320 N ATOM 37 C LIG 1 -5.453 -2.316 0.938 0.00 0.00 +0.151 C ATOM 38 C LIG 1 -7.751 -2.021 0.018 0.00 0.00 +0.224 A ATOM 39 N LIG 1 -8.606 -1.040 -0.147 0.00 0.00 -0.138 NA ATOM 40 N LIG 1 -8.022 0.105 0.336 0.00 0.00 -0.135 NA ENDBRANCH 34 35 ENDBRANCH 28 34 ENDBRANCH 24 28 ENDBRANCH 2 22 TORSDOF 9