REMARK Name = BDB020510 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.154 0.584 1.432 0.00 0.00 +0.011 A ATOM 2 C LIG 1 1.322 0.228 0.698 0.00 0.00 +0.011 A ATOM 3 C LIG 1 2.546 0.850 1.010 0.00 0.00 +0.072 A ATOM 4 N LIG 1 3.690 0.577 0.361 0.00 0.00 -0.245 NA ATOM 5 C LIG 1 3.696 -0.350 -0.638 0.00 0.00 +0.092 A ATOM 6 C LIG 1 2.542 -1.013 -1.031 0.00 0.00 +0.078 A ATOM 7 C LIG 1 2.586 1.790 2.029 0.00 0.00 +0.028 A ATOM 8 C LIG 1 1.450 2.136 2.759 0.00 0.00 +0.003 A ATOM 9 C LIG 1 1.354 -0.714 -0.355 0.00 0.00 +0.031 A ATOM 10 C LIG 1 0.235 1.532 2.462 0.00 0.00 +0.011 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 -5.489 -0.080 1.584 0.00 0.00 +0.041 C ATOM 12 C LIG 1 -4.613 -0.108 0.336 0.00 0.00 +0.171 C ATOM 13 N LIG 1 -3.226 -0.364 0.671 0.00 0.00 -0.318 N ATOM 14 C LIG 1 -2.302 0.632 0.839 0.00 0.00 +0.064 A ATOM 15 C LIG 1 -1.133 -0.028 1.154 0.00 0.00 +0.094 A ATOM 16 N LIG 1 -1.333 -1.388 1.156 0.00 0.00 -0.232 NA ATOM 17 C LIG 1 -2.689 2.042 0.665 0.00 0.00 +0.163 C ATOM 18 N LIG 1 -3.726 2.133 -0.355 0.00 0.00 -0.297 N ATOM 19 C LIG 1 -3.910 3.431 -0.980 0.00 0.00 +0.132 C ATOM 20 C LIG 1 -2.602 -1.564 0.852 0.00 0.00 +0.114 A ATOM 21 C LIG 1 -4.767 1.208 -0.431 0.00 0.00 +0.238 C ATOM 22 O LIG 1 -5.799 1.429 -1.069 0.00 0.00 -0.273 OA BRANCH 20 23 ATOM 23 C LIG 1 -3.261 -2.966 0.737 0.00 0.00 +0.055 C ATOM 24 C LIG 1 -2.452 -4.102 0.166 0.00 0.00 +0.012 C ATOM 25 C LIG 1 -3.579 -3.513 -0.630 0.00 0.00 +0.012 C ENDBRANCH 20 23 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 C LIG 1 5.009 -0.558 -1.238 0.00 0.00 +0.039 A ATOM 27 C LIG 1 5.995 0.411 -1.281 0.00 0.00 +0.118 A ATOM 28 N LIG 1 7.074 -0.156 -1.887 0.00 0.00 -0.274 N ATOM 29 C LIG 1 8.347 0.466 -2.157 0.00 0.00 +0.172 C ATOM 30 N LIG 1 6.874 -1.436 -2.244 0.00 0.00 -0.179 NA ATOM 31 C LIG 1 5.624 -1.682 -1.839 0.00 0.00 +0.144 A ENDBRANCH 5 26 BRANCH 6 32 ATOM 32 C LIG 1 2.497 -1.955 -2.104 0.00 0.00 +0.101 C ATOM 33 N LIG 1 2.443 -2.726 -2.970 0.00 0.00 -0.191 NA ENDBRANCH 6 32 TORSDOF 4