REMARK Name = BDB034658 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.096 -0.757 1.316 0.00 0.00 +0.267 C ATOM 2 N LIG 1 1.276 -1.512 1.436 0.00 0.00 -0.292 N ATOM 3 O LIG 1 0.068 0.465 1.494 0.00 0.00 -0.268 OA ENDROOT BRANCH 2 4 ATOM 4 C LIG 1 2.522 -0.839 1.852 0.00 0.00 +0.091 C ATOM 5 C LIG 1 3.005 0.246 0.880 0.00 0.00 +0.038 C ATOM 6 C LIG 1 4.431 0.704 1.255 0.00 0.00 +0.092 C ATOM 7 C LIG 1 4.712 0.563 2.771 0.00 0.00 +0.094 C ATOM 8 N LIG 1 3.515 0.719 3.596 0.00 0.00 -0.313 NA ATOM 9 H LIG 1 3.744 0.700 4.589 0.00 0.00 +0.122 HD ATOM 10 C LIG 1 2.469 -0.268 3.295 0.00 0.00 +0.103 C BRANCH 6 11 ATOM 11 C LIG 1 4.714 2.076 0.742 0.00 0.00 +0.222 A ATOM 12 O LIG 1 4.327 2.352 -0.547 0.00 0.00 -0.425 OA ATOM 13 C LIG 1 4.746 3.646 -0.690 0.00 0.00 +0.214 A ATOM 14 C LIG 1 4.455 4.307 -1.970 0.00 0.00 +0.111 C ATOM 15 N LIG 1 5.360 4.108 0.376 0.00 0.00 -0.113 NA ATOM 16 N LIG 1 5.345 3.087 1.304 0.00 0.00 -0.112 NA ENDBRANCH 6 11 ENDBRANCH 2 4 BRANCH 1 18 ATOM 17 C LIG 1 -2.026 -0.777 -0.018 0.00 0.00 +0.059 A ATOM 18 C LIG 1 -1.199 -1.404 0.931 0.00 0.00 +0.146 A ATOM 19 N LIG 1 -1.534 -2.532 1.612 0.00 0.00 -0.248 NA ATOM 20 C LIG 1 -2.725 -3.090 1.294 0.00 0.00 +0.115 A ATOM 21 C LIG 1 -3.623 -2.611 0.336 0.00 0.00 -0.024 A ATOM 22 C LIG 1 -3.227 -1.433 -0.320 0.00 0.00 +0.030 A BRANCH 21 23 ATOM 23 C LIG 1 -4.923 -3.342 0.065 0.00 0.00 +0.021 C ATOM 24 C LIG 1 -5.640 -3.243 -1.260 0.00 0.00 +0.009 C ATOM 25 C LIG 1 -6.219 -2.574 -0.046 0.00 0.00 +0.009 C ENDBRANCH 21 23 BRANCH 17 26 ATOM 26 N LIG 1 -1.620 0.391 -0.721 0.00 0.00 -0.339 N ATOM 27 H LIG 1 -0.962 0.922 -0.132 0.00 0.00 +0.146 HD BRANCH 26 30 ATOM 28 C LIG 1 -3.024 3.285 -1.686 0.00 0.00 +0.121 C ATOM 29 C LIG 1 -1.742 2.490 -2.029 0.00 0.00 +0.054 C ATOM 30 C LIG 1 -2.466 1.226 -1.518 0.00 0.00 +0.075 C ATOM 31 C LIG 1 -3.368 2.159 -0.682 0.00 0.00 +0.054 C BRANCH 28 33 ATOM 32 C LIG 1 -5.111 4.227 -2.496 0.00 0.00 +0.194 C ATOM 33 O LIG 1 -3.945 3.469 -2.785 0.00 0.00 -0.380 OA ENDBRANCH 28 33 ENDBRANCH 26 30 ENDBRANCH 17 26 ENDBRANCH 1 18 BRANCH 2 34 ATOM 34 C LIG 1 1.410 -2.875 0.916 0.00 0.00 +0.112 C BRANCH 34 35 ATOM 35 C LIG 1 1.884 -2.851 -0.508 0.00 0.00 +0.006 C ATOM 36 C LIG 1 2.421 -4.114 -1.136 0.00 0.00 +0.005 C ATOM 37 C LIG 1 3.349 -2.965 -0.854 0.00 0.00 +0.005 C ENDBRANCH 34 35 ENDBRANCH 2 34 TORSDOF 9