REMARK Name = BDB021033 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.020 5.414 -0.770 0.00 0.00 +0.129 C ATOM 2 N LIG 1 -4.679 4.048 -0.449 0.00 0.00 -0.302 N ATOM 3 H LIG 1 -5.328 3.587 0.168 0.00 0.00 +0.150 HD ATOM 4 C LIG 1 -3.363 3.721 -0.236 0.00 0.00 +0.302 C ATOM 5 N LIG 1 -3.123 2.387 0.054 0.00 0.00 -0.278 N ATOM 6 C LIG 1 -1.775 2.075 0.531 0.00 0.00 +0.164 C ATOM 7 C LIG 1 -1.499 0.613 0.571 0.00 0.00 +0.064 A ATOM 8 N LIG 1 -2.384 -0.339 0.117 0.00 0.00 -0.328 N ATOM 9 C LIG 1 -1.817 -1.581 0.282 0.00 0.00 +0.114 A ATOM 10 N LIG 1 -0.613 -1.452 0.809 0.00 0.00 -0.232 NA ATOM 11 C LIG 1 -3.661 0.030 -0.453 0.00 0.00 +0.142 C ATOM 12 C LIG 1 -0.404 -0.111 0.994 0.00 0.00 +0.094 A ATOM 13 C LIG 1 -4.146 1.341 0.152 0.00 0.00 +0.131 C ATOM 14 O LIG 1 -2.465 4.555 -0.308 0.00 0.00 -0.253 OA ENDROOT BRANCH 12 15 ATOM 15 C LIG 1 0.830 0.428 1.536 0.00 0.00 +0.011 A ATOM 16 C LIG 1 2.084 0.188 0.906 0.00 0.00 +0.011 A ATOM 17 C LIG 1 3.254 0.730 1.472 0.00 0.00 +0.072 A ATOM 18 N LIG 1 4.473 0.555 0.935 0.00 0.00 -0.245 NA ATOM 19 C LIG 1 4.611 -0.182 -0.202 0.00 0.00 +0.092 A ATOM 20 C LIG 1 3.520 -0.752 -0.845 0.00 0.00 +0.078 A ATOM 21 C LIG 1 3.155 1.480 2.635 0.00 0.00 +0.028 A ATOM 22 C LIG 1 1.932 1.710 3.264 0.00 0.00 +0.003 A ATOM 23 C LIG 1 2.255 -0.559 -0.280 0.00 0.00 +0.031 A ATOM 24 C LIG 1 0.771 1.181 2.717 0.00 0.00 +0.011 A BRANCH 19 25 ATOM 25 C LIG 1 5.989 -0.301 -0.662 0.00 0.00 +0.039 A ATOM 26 C LIG 1 6.962 0.653 -0.421 0.00 0.00 +0.118 A ATOM 27 N LIG 1 8.114 0.185 -0.977 0.00 0.00 -0.274 N ATOM 28 C LIG 1 9.402 0.832 -0.982 0.00 0.00 +0.172 C ATOM 29 N LIG 1 7.973 -1.017 -1.562 0.00 0.00 -0.179 NA ATOM 30 C LIG 1 6.686 -1.315 -1.361 0.00 0.00 +0.144 A ENDBRANCH 19 25 BRANCH 20 31 ATOM 31 C LIG 1 3.619 -1.493 -2.063 0.00 0.00 +0.101 C ATOM 32 N LIG 1 3.678 -2.102 -3.049 0.00 0.00 -0.191 NA ENDBRANCH 20 31 ENDBRANCH 12 15 BRANCH 9 33 ATOM 33 C LIG 1 -2.431 -2.914 -0.047 0.00 0.00 +0.059 C ATOM 34 C LIG 1 -3.545 -3.297 0.927 0.00 0.00 +0.039 C ATOM 35 C LIG 1 -4.089 -4.688 0.611 0.00 0.00 +0.160 C ATOM 36 O LIG 1 -4.033 -5.035 -0.773 0.00 0.00 -0.380 OA ATOM 37 C LIG 1 -4.114 -3.917 -1.646 0.00 0.00 +0.160 C ATOM 38 C LIG 1 -2.862 -3.060 -1.512 0.00 0.00 +0.039 C ENDBRANCH 9 33 TORSDOF 4