REMARK Name = BDB024773 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.719 -2.644 -1.545 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.140 -1.644 -0.741 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.068 -1.027 0.226 0.00 0.00 +0.082 C ATOM 4 C LIG 1 6.081 -0.117 -0.490 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.360 -0.287 1.358 0.00 0.00 +0.027 C ATOM 6 C LIG 1 3.403 0.738 0.789 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.440 0.063 -0.144 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.143 0.600 -0.315 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.603 1.745 0.222 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.627 1.825 -0.241 0.00 0.00 +0.113 A ATOM 11 N LIG 1 -0.927 0.723 -1.015 0.00 0.00 -0.326 N ATOM 12 C LIG 1 0.211 -0.048 -1.111 0.00 0.00 +0.069 A ATOM 13 C LIG 1 0.505 -1.238 -1.771 0.00 0.00 +0.030 A ATOM 14 C LIG 1 1.803 -1.750 -1.618 0.00 0.00 +0.026 A ATOM 15 C LIG 1 2.800 -1.110 -0.861 0.00 0.00 +0.045 A ATOM 16 O LIG 1 5.794 -3.180 -1.279 0.00 0.00 -0.226 OA ENDROOT BRANCH 1 18 ATOM 17 C LIG 1 4.676 -3.894 -3.534 0.00 0.00 +0.282 C ATOM 18 O LIG 1 4.047 -2.924 -2.696 0.00 0.00 -0.453 OA ENDBRANCH 1 18 BRANCH 11 19 ATOM 19 C LIG 1 -2.179 0.470 -1.702 0.00 0.00 +0.139 C BRANCH 19 20 ATOM 20 C LIG 1 -3.340 -0.024 -0.819 0.00 0.00 +0.106 C BRANCH 20 21 ATOM 21 N LIG 1 -3.300 -1.450 -0.461 0.00 0.00 -0.300 NA ATOM 22 C LIG 1 -2.384 -1.758 0.650 0.00 0.00 +0.097 C ATOM 23 C LIG 1 -2.880 -3.097 1.194 0.00 0.00 +0.090 C ATOM 24 C LIG 1 -4.290 -3.266 0.630 0.00 0.00 +0.029 C ATOM 25 C LIG 1 -4.611 -1.922 0.002 0.00 0.00 +0.085 C BRANCH 23 26 ATOM 26 C LIG 1 -2.827 -3.157 2.708 0.00 0.00 +0.215 C ATOM 27 O LIG 1 -2.102 -3.939 3.315 0.00 0.00 -0.276 OA ATOM 28 N LIG 1 -3.630 -2.297 3.396 0.00 0.00 -0.329 N ATOM 29 H LIG 1 -3.538 -2.299 4.404 0.00 0.00 +0.145 HD ATOM 30 H LIG 1 -4.101 -1.514 2.965 0.00 0.00 +0.145 HD ENDBRANCH 23 26 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 11 19 BRANCH 10 31 ATOM 31 C LIG 1 -1.565 2.963 0.004 0.00 0.00 +0.097 C BRANCH 31 32 ATOM 32 C LIG 1 -1.067 3.880 1.118 0.00 0.00 +0.151 C BRANCH 32 33 ATOM 33 N LIG 1 -1.963 5.003 1.329 0.00 0.00 -0.271 N ATOM 34 N LIG 1 -3.245 4.782 1.688 0.00 0.00 -0.180 NA ATOM 35 C LIG 1 -3.755 6.010 1.804 0.00 0.00 +0.134 A ATOM 36 C LIG 1 -2.812 7.012 1.510 0.00 0.00 +0.041 A ATOM 37 C LIG 1 -1.659 6.328 1.207 0.00 0.00 +0.108 A ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 10 31 TORSDOF 8