REMARK Name = BDB029598 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.944 -0.194 3.984 0.00 0.00 +0.129 C ATOM 2 N LIG 1 -2.549 -0.938 2.777 0.00 0.00 -0.331 N ATOM 3 C LIG 1 -3.170 -0.491 1.603 0.00 0.00 +0.042 A ATOM 4 C LIG 1 -2.542 -0.035 0.428 0.00 0.00 +0.060 A ATOM 5 C LIG 1 -3.313 0.413 -0.674 0.00 0.00 +0.038 A ATOM 6 C LIG 1 -4.709 0.399 -0.667 0.00 0.00 +0.032 A ATOM 7 C LIG 1 -5.335 -0.092 0.471 0.00 0.00 +0.025 A ATOM 8 C LIG 1 -1.077 0.075 0.199 0.00 0.00 +0.249 C ATOM 9 O LIG 1 -0.649 1.084 -0.364 0.00 0.00 -0.270 OA ATOM 10 N LIG 1 -0.243 -0.983 0.543 0.00 0.00 -0.293 N ATOM 11 C LIG 1 -0.673 -2.003 1.493 0.00 0.00 +0.127 C ATOM 12 C LIG 1 -4.582 -0.522 1.573 0.00 0.00 +0.026 A ATOM 13 C LIG 1 -1.137 -1.358 2.797 0.00 0.00 +0.123 C ENDROOT BRANCH 6 14 ATOM 14 N LIG 1 -5.405 0.819 -1.811 0.00 0.00 -0.313 N ATOM 15 H LIG 1 -4.883 1.467 -2.393 0.00 0.00 +0.152 HD BRANCH 14 16 ATOM 16 C LIG 1 -6.653 0.447 -2.337 0.00 0.00 +0.053 A ATOM 17 C LIG 1 -7.313 -0.736 -2.031 0.00 0.00 +0.158 A ATOM 18 N LIG 1 -8.536 -1.061 -2.511 0.00 0.00 -0.156 NA ATOM 19 N LIG 1 -9.177 -0.196 -3.332 0.00 0.00 -0.158 NA ATOM 20 C LIG 1 -8.580 0.969 -3.651 0.00 0.00 +0.137 A ATOM 21 C LIG 1 -7.331 1.326 -3.177 0.00 0.00 +0.046 A ENDBRANCH 14 16 ENDBRANCH 6 14 BRANCH 10 22 ATOM 22 C LIG 1 1.198 -0.837 0.295 0.00 0.00 +0.140 C BRANCH 22 23 ATOM 23 C LIG 1 1.922 -0.064 1.408 0.00 0.00 +0.146 C BRANCH 23 24 ATOM 24 O LIG 1 2.093 -0.924 2.554 0.00 0.00 -0.389 OA ATOM 25 H LIG 1 2.960 -1.356 2.398 0.00 0.00 +0.210 HD ENDBRANCH 23 24 BRANCH 23 26 ATOM 26 C LIG 1 3.315 0.465 0.991 0.00 0.00 +0.117 C BRANCH 26 27 ATOM 27 N LIG 1 4.313 -0.631 0.921 0.00 0.00 -0.295 NA ATOM 28 C LIG 1 4.530 -1.106 -0.464 0.00 0.00 +0.120 C ATOM 29 C LIG 1 5.370 -0.197 -1.336 0.00 0.00 -0.030 A ATOM 30 C LIG 1 6.254 0.738 -0.769 0.00 0.00 -0.042 A ATOM 31 C LIG 1 7.043 1.544 -1.601 0.00 0.00 +0.004 A ATOM 32 C LIG 1 6.973 1.407 -2.987 0.00 0.00 +0.000 A ATOM 33 C LIG 1 6.112 0.469 -3.552 0.00 0.00 +0.000 A ATOM 34 C LIG 1 6.309 0.919 0.726 0.00 0.00 +0.051 C ATOM 35 C LIG 1 5.318 -0.332 -2.732 0.00 0.00 +0.005 A ATOM 36 C LIG 1 5.618 -0.225 1.483 0.00 0.00 +0.089 C ENDBRANCH 26 27 ENDBRANCH 23 26 ENDBRANCH 22 23 ENDBRANCH 10 22 TORSDOF 7