REMARK Name = BDB006653 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 2.316 0.346 1.159 0.00 0.00 -0.220 N ATOM 2 C LIG 1 1.037 -0.005 0.857 0.00 0.00 +0.135 A ATOM 3 C LIG 1 0.318 -0.867 -0.016 0.00 0.00 +0.270 C ATOM 4 N LIG 1 -1.061 -0.642 0.298 0.00 0.00 -0.253 N ATOM 5 C LIG 1 -1.209 0.342 1.417 0.00 0.00 +0.146 C ATOM 6 O LIG 1 0.795 -1.676 -0.793 0.00 0.00 -0.268 OA ATOM 7 C LIG 1 0.203 0.640 1.720 0.00 0.00 +0.031 A ATOM 8 C LIG 1 1.031 1.288 2.633 0.00 0.00 +0.066 A ATOM 9 C LIG 1 0.659 2.106 3.811 0.00 0.00 +0.068 C ATOM 10 N LIG 1 2.323 1.054 2.341 0.00 0.00 -0.170 NA ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -2.143 -1.304 -0.289 0.00 0.00 +0.054 A ATOM 12 C LIG 1 -2.022 -2.142 -1.337 0.00 0.00 +0.112 A ATOM 13 N LIG 1 -3.104 -2.786 -1.918 0.00 0.00 -0.316 N ATOM 14 C LIG 1 -2.852 -3.671 -3.046 0.00 0.00 +0.152 C ATOM 15 C LIG 1 -4.409 -2.616 -1.469 0.00 0.00 +0.254 A ATOM 16 O LIG 1 -5.391 -3.166 -1.960 0.00 0.00 -0.267 OA ATOM 17 C LIG 1 -4.573 -1.690 -0.306 0.00 0.00 +0.016 A ATOM 18 C LIG 1 -5.966 -1.489 0.198 0.00 0.00 +0.049 C ATOM 19 C LIG 1 -3.491 -1.094 0.225 0.00 0.00 +0.033 A ENDBRANCH 4 11 BRANCH 5 20 ATOM 20 C LIG 1 -1.834 1.672 1.040 0.00 0.00 -0.022 A ATOM 21 C LIG 1 -1.656 2.260 -0.226 0.00 0.00 +0.007 A ATOM 22 C LIG 1 -2.244 3.490 -0.533 0.00 0.00 +0.020 A ATOM 23 C LIG 1 -3.013 4.149 0.421 0.00 0.00 +0.041 A ATOM 24 CL LIG 1 -3.735 5.663 0.043 0.00 0.00 -0.084 Cl ATOM 25 C LIG 1 -3.199 3.589 1.682 0.00 0.00 +0.020 A ATOM 26 C LIG 1 -2.613 2.359 1.991 0.00 0.00 +0.007 A ENDBRANCH 5 20 BRANCH 1 30 ATOM 27 C LIG 1 5.907 -0.398 -0.677 0.00 0.00 +0.321 A ATOM 28 N LIG 1 4.830 -0.342 -1.468 0.00 0.00 -0.158 NA ATOM 29 C LIG 1 3.650 -0.087 -0.865 0.00 0.00 +0.247 A ATOM 30 C LIG 1 3.526 0.096 0.495 0.00 0.00 +0.146 A ATOM 31 C LIG 1 4.707 0.067 1.206 0.00 0.00 +0.149 A ATOM 32 N LIG 1 5.908 -0.191 0.649 0.00 0.00 -0.201 NA BRANCH 27 34 ATOM 33 C LIG 1 8.210 -0.717 -0.464 0.00 0.00 +0.280 C ATOM 34 O LIG 1 7.086 -0.674 -1.333 0.00 0.00 -0.466 OA ENDBRANCH 27 34 BRANCH 29 35 ATOM 35 O LIG 1 2.568 0.193 -1.674 0.00 0.00 -0.478 OA ATOM 36 C LIG 1 2.720 -0.295 -3.005 0.00 0.00 +0.279 C ENDBRANCH 29 35 ENDBRANCH 1 30 TORSDOF 5