REMARK Name = BDB047078 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.708 0.193 0.150 0.00 0.00 -0.296 N ATOM 2 H LIG 1 0.884 1.196 0.230 0.00 0.00 +0.154 HD ENDROOT BRANCH 1 10 ATOM 3 C LIG 1 -3.199 -2.529 0.016 0.00 0.00 +0.174 C ATOM 4 N LIG 1 -2.380 -1.347 0.096 0.00 0.00 -0.248 N ATOM 5 C LIG 1 -2.814 -0.058 0.215 0.00 0.00 +0.160 A ATOM 6 C LIG 1 -1.663 0.717 0.253 0.00 0.00 +0.061 A ATOM 7 C LIG 1 -1.823 2.109 0.374 0.00 0.00 +0.016 A ATOM 8 C LIG 1 -3.126 2.605 0.448 0.00 0.00 +0.020 A ATOM 9 C LIG 1 -4.191 1.714 0.399 0.00 0.00 +0.113 A ATOM 10 C LIG 1 -0.585 -0.214 0.147 0.00 0.00 +0.154 A ATOM 11 N LIG 1 -4.092 0.371 0.283 0.00 0.00 -0.236 NA ATOM 12 N LIG 1 -1.037 -1.469 0.052 0.00 0.00 -0.154 NA ENDBRANCH 1 10 BRANCH 1 13 ATOM 13 C LIG 1 1.926 -0.519 0.060 0.00 0.00 +0.065 A ATOM 14 C LIG 1 3.175 0.138 0.085 0.00 0.00 +0.083 A ATOM 15 C LIG 1 4.368 -0.596 -0.007 0.00 0.00 +0.036 A ATOM 16 C LIG 1 4.295 -1.968 -0.121 0.00 0.00 +0.111 A ATOM 17 N LIG 1 3.134 -2.641 -0.149 0.00 0.00 -0.261 NA ATOM 18 C LIG 1 1.991 -1.909 -0.059 0.00 0.00 +0.134 A BRANCH 14 19 ATOM 19 C LIG 1 3.349 1.610 0.205 0.00 0.00 +0.339 C ATOM 20 O LIG 1 4.417 2.196 0.228 0.00 0.00 -0.245 OA BRANCH 19 21 ATOM 21 O LIG 1 2.199 2.308 0.292 0.00 0.00 -0.477 OA ATOM 22 H LIG 1 2.522 3.235 0.362 0.00 0.00 +0.295 HD ENDBRANCH 19 21 ENDBRANCH 14 19 ENDBRANCH 1 13 TORSDOF 4