REMARK Name = BDB022764 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.222 -0.172 1.737 0.00 0.00 +0.101 A ATOM 2 C LIG 1 1.079 0.647 0.577 0.00 0.00 +0.080 A ATOM 3 C LIG 1 0.121 1.573 0.947 0.00 0.00 +0.122 A ATOM 4 N LIG 1 -0.281 1.248 2.208 0.00 0.00 -0.266 N ATOM 5 N LIG 1 0.386 0.196 2.721 0.00 0.00 -0.173 NA ENDROOT BRANCH 2 6 ATOM 6 C LIG 1 1.745 0.630 -0.718 0.00 0.00 +0.248 C ATOM 7 N LIG 1 2.311 -0.566 -1.081 0.00 0.00 -0.307 N ATOM 8 H LIG 1 2.239 -1.367 -0.462 0.00 0.00 +0.149 HD ATOM 9 O LIG 1 1.772 1.623 -1.441 0.00 0.00 -0.270 OA BRANCH 7 10 ATOM 10 C LIG 1 3.121 -0.711 -2.265 0.00 0.00 +0.140 C BRANCH 10 11 ATOM 11 C LIG 1 4.586 -0.533 -1.937 0.00 0.00 -0.024 A ATOM 12 C LIG 1 5.417 -1.609 -1.563 0.00 0.00 -0.046 A ATOM 13 C LIG 1 4.910 -3.023 -1.494 0.00 0.00 +0.044 C ATOM 14 C LIG 1 6.765 -1.356 -1.269 0.00 0.00 +0.007 A ATOM 15 C LIG 1 7.276 -0.058 -1.317 0.00 0.00 +0.046 A ATOM 16 C LIG 1 6.456 1.016 -1.657 0.00 0.00 +0.120 A ATOM 17 C LIG 1 5.118 0.773 -1.966 0.00 0.00 +0.051 A BRANCH 16 18 ATOM 18 O LIG 1 7.074 2.236 -1.652 0.00 0.00 -0.495 OA ATOM 19 C LIG 1 6.259 3.367 -1.936 0.00 0.00 +0.277 C ENDBRANCH 16 18 ENDBRANCH 10 11 ENDBRANCH 7 10 ENDBRANCH 2 6 BRANCH 1 20 ATOM 20 C LIG 1 2.164 -1.315 1.962 0.00 0.00 +0.217 C BRANCH 20 22 ATOM 21 C LIG 1 0.848 -3.195 1.371 0.00 0.00 +0.194 C ATOM 22 O LIG 1 1.969 -2.386 1.021 0.00 0.00 -0.377 OA ENDBRANCH 20 22 ENDBRANCH 1 20 BRANCH 4 23 ATOM 23 C LIG 1 -1.275 1.948 3.012 0.00 0.00 +0.178 C BRANCH 23 24 ATOM 24 C LIG 1 -2.676 1.693 2.514 0.00 0.00 -0.026 A ATOM 25 C LIG 1 -3.273 0.436 2.689 0.00 0.00 +0.006 A ATOM 26 C LIG 1 -4.566 0.193 2.222 0.00 0.00 +0.006 A ATOM 27 C LIG 1 -5.290 1.201 1.570 0.00 0.00 -0.028 A ATOM 28 C LIG 1 -4.693 2.457 1.394 0.00 0.00 +0.006 A ATOM 29 C LIG 1 -3.399 2.701 1.862 0.00 0.00 +0.006 A BRANCH 27 30 ATOM 30 C LIG 1 -6.685 0.927 1.054 0.00 0.00 +0.160 C BRANCH 30 31 ATOM 31 N LIG 1 -6.689 0.070 -0.130 0.00 0.00 -0.311 N ATOM 32 C LIG 1 -6.988 -1.284 0.027 0.00 0.00 +0.252 A ATOM 33 O LIG 1 -7.265 -1.827 1.093 0.00 0.00 -0.268 OA ATOM 34 C LIG 1 -6.960 -2.105 -1.215 0.00 0.00 +0.070 A ATOM 35 C LIG 1 -6.648 -1.544 -2.391 0.00 0.00 +0.007 A ATOM 36 C LIG 1 -6.336 -0.142 -2.469 0.00 0.00 +0.018 A ATOM 37 C LIG 1 -6.363 0.612 -1.364 0.00 0.00 +0.089 A ENDBRANCH 30 31 ENDBRANCH 27 30 ENDBRANCH 23 24 ENDBRANCH 4 23 TORSDOF 10