REMARK Name = BDB022240 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.955 -0.158 0.512 0.00 0.00 +0.042 A ATOM 2 C LIG 1 -1.542 0.308 0.561 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -1.251 1.684 0.505 0.00 0.00 +0.054 A ATOM 4 C LIG 1 0.086 2.102 0.586 0.00 0.00 +0.028 A ATOM 5 C LIG 1 1.129 1.175 0.689 0.00 0.00 +0.025 A ATOM 6 C LIG 1 0.870 -0.192 0.707 0.00 0.00 +0.032 A ATOM 7 N LIG 1 -2.311 2.624 0.337 0.00 0.00 -0.311 N ATOM 8 C LIG 1 -2.025 4.048 0.260 0.00 0.00 +0.152 C ATOM 9 C LIG 1 -3.624 2.215 0.183 0.00 0.00 +0.253 A ATOM 10 O LIG 1 -4.573 2.971 -0.020 0.00 0.00 -0.268 OA ATOM 11 C LIG 1 -0.468 -0.607 0.633 0.00 0.00 +0.035 A ATOM 12 C LIG 1 -3.899 0.769 0.299 0.00 0.00 +0.093 A ENDROOT BRANCH 1 13 ATOM 13 N LIG 1 -3.203 -1.517 0.703 0.00 0.00 -0.343 N ATOM 14 H LIG 1 -2.587 -1.913 1.411 0.00 0.00 +0.146 HD BRANCH 13 16 ATOM 15 C LIG 1 -4.985 -2.423 -0.714 0.00 0.00 +0.024 C ATOM 16 C LIG 1 -4.509 -2.165 0.706 0.00 0.00 +0.098 C ENDBRANCH 13 16 ENDBRANCH 1 13 BRANCH 6 17 ATOM 17 N LIG 1 1.883 -1.170 0.739 0.00 0.00 -0.313 N ATOM 18 H LIG 1 1.569 -2.047 1.150 0.00 0.00 +0.152 HD BRANCH 17 19 ATOM 19 C LIG 1 3.236 -1.138 0.327 0.00 0.00 +0.054 A ATOM 20 C LIG 1 4.207 -1.937 0.958 0.00 0.00 +0.110 A ATOM 21 C LIG 1 5.524 -1.823 0.535 0.00 0.00 +0.149 A ATOM 22 CL LIG 1 6.813 -2.740 1.217 0.00 0.00 -0.061 Cl ATOM 23 N LIG 1 5.944 -0.993 -0.442 0.00 0.00 -0.227 NA ATOM 24 CA LIG 1 5.005 -0.228 -1.042 0.00 0.00 +0.151 A ATOM 25 C LIG 1 3.660 -0.269 -0.688 0.00 0.00 +0.059 A BRANCH 20 26 ATOM 26 C LIG 1 3.850 -2.840 2.006 0.00 0.00 +0.104 C ATOM 27 N LIG 1 3.498 -3.569 2.838 0.00 0.00 -0.191 NA ENDBRANCH 20 26 BRANCH 24 28 ATOM 28 C LIG 1 5.502 0.677 -2.126 0.00 0.00 +0.355 C ATOM 29 O LIG 1 6.643 0.763 -2.541 0.00 0.00 -0.243 OA BRANCH 28 30 ATOM 30 OXT LIG 1 4.528 1.451 -2.648 0.00 0.00 -0.476 OA ATOM 31 HXT LIG 1 4.997 1.975 -3.333 0.00 0.00 +0.295 HD ENDBRANCH 28 30 ENDBRANCH 24 28 ENDBRANCH 17 19 ENDBRANCH 6 17 TORSDOF 7