REMARK Name = BDB024788 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.960 -2.654 0.150 0.00 0.00 +0.407 C ATOM 2 N LIG 1 5.331 -1.529 -0.414 0.00 0.00 -0.234 N ATOM 3 C LIG 1 6.117 -0.642 -1.296 0.00 0.00 +0.082 C ATOM 4 C LIG 1 6.063 -1.125 -2.751 0.00 0.00 +0.028 C ATOM 5 C LIG 1 5.715 0.820 -1.139 0.00 0.00 +0.027 C ATOM 6 C LIG 1 4.248 1.007 -1.452 0.00 0.00 +0.041 C ATOM 7 C LIG 1 3.402 0.013 -0.709 0.00 0.00 +0.002 A ATOM 8 C LIG 1 2.030 0.293 -0.512 0.00 0.00 +0.094 A ATOM 9 N LIG 1 1.308 1.397 -0.906 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 0.074 1.196 -0.491 0.00 0.00 +0.113 A ATOM 11 N LIG 1 -0.024 -0.008 0.175 0.00 0.00 -0.326 N ATOM 12 C LIG 1 1.214 -0.608 0.158 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.692 -1.820 0.646 0.00 0.00 +0.030 A ATOM 14 C LIG 1 3.052 -2.098 0.438 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.929 -1.213 -0.218 0.00 0.00 +0.045 A ATOM 16 O LIG 1 5.492 -3.415 0.989 0.00 0.00 -0.226 OA ENDROOT BRANCH 1 18 ATOM 17 C LIG 1 7.917 -3.967 0.205 0.00 0.00 +0.282 C ATOM 18 O LIG 1 7.229 -2.835 -0.333 0.00 0.00 -0.453 OA ENDBRANCH 1 18 BRANCH 11 19 ATOM 19 C LIG 1 -1.211 -0.545 0.818 0.00 0.00 +0.138 C BRANCH 19 20 ATOM 20 C LIG 1 -2.072 -1.368 -0.149 0.00 0.00 +0.103 C BRANCH 20 21 ATOM 21 N LIG 1 -3.280 -1.955 0.442 0.00 0.00 -0.310 NA ATOM 22 H LIG 1 -3.045 -2.513 1.262 0.00 0.00 +0.122 HD BRANCH 21 23 ATOM 23 C LIG 1 -4.275 -0.946 0.823 0.00 0.00 +0.118 C BRANCH 23 24 ATOM 24 C LIG 1 -5.560 -1.585 1.279 0.00 0.00 -0.015 A ATOM 25 C LIG 1 -6.153 -1.215 2.483 0.00 0.00 +0.115 A ATOM 26 N LIG 1 -7.315 -1.729 2.950 0.00 0.00 -0.263 NA ATOM 27 C LIG 1 -7.925 -2.648 2.172 0.00 0.00 +0.111 A ATOM 28 C LIG 1 -7.433 -3.072 0.950 0.00 0.00 +0.020 A ATOM 29 C LIG 1 -6.234 -2.529 0.498 0.00 0.00 +0.008 A ENDBRANCH 23 24 ENDBRANCH 21 23 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 11 19 BRANCH 10 30 ATOM 30 C LIG 1 -1.063 2.138 -0.710 0.00 0.00 +0.096 C BRANCH 30 31 ATOM 31 C LIG 1 -1.154 3.170 0.416 0.00 0.00 +0.132 C BRANCH 31 32 ATOM 32 N LIG 1 -2.374 3.972 0.319 0.00 0.00 -0.315 N ATOM 33 C LIG 1 -3.570 3.412 0.772 0.00 0.00 +0.251 A ATOM 34 O LIG 1 -3.671 2.284 1.254 0.00 0.00 -0.268 OA ATOM 35 C LIG 1 -4.783 4.262 0.630 0.00 0.00 +0.070 A ATOM 36 C LIG 1 -4.690 5.481 0.085 0.00 0.00 +0.007 A ATOM 37 C LIG 1 -3.421 5.981 -0.379 0.00 0.00 +0.018 A ATOM 38 C LIG 1 -2.321 5.229 -0.257 0.00 0.00 +0.089 A ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 10 30 TORSDOF 9