REMARK Name = BDB053750 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.320 0.140 0.599 0.00 0.00 +0.217 A ATOM 2 N LIG 1 -1.060 -0.855 -0.030 0.00 0.00 -0.306 N ATOM 3 C LIG 1 -0.201 -1.840 -0.500 0.00 0.00 +0.071 A ATOM 4 C LIG 1 1.072 -1.527 -0.029 0.00 0.00 +0.105 A ATOM 5 N LIG 1 2.163 -2.309 -0.247 0.00 0.00 -0.253 NA ATOM 6 C LIG 1 1.937 -3.420 -0.975 0.00 0.00 +0.111 A ATOM 7 C LIG 1 0.712 -3.798 -1.498 0.00 0.00 +0.022 A ATOM 8 C LIG 1 -0.402 -2.998 -1.263 0.00 0.00 +0.029 A ATOM 9 C LIG 1 0.995 -0.297 0.665 0.00 0.00 +0.124 A ENDROOT BRANCH 9 10 ATOM 10 C LIG 1 2.062 0.379 1.376 0.00 0.00 +0.254 C ATOM 11 N LIG 1 3.158 0.845 0.645 0.00 0.00 -0.295 N ATOM 12 C LIG 1 4.410 1.047 1.368 0.00 0.00 +0.129 C ATOM 13 CA LIG 1 5.289 -0.229 1.221 0.00 0.00 +0.097 C ATOM 14 N LIG 1 5.063 -0.987 -0.049 0.00 0.00 -0.308 NA ATOM 15 H LIG 1 4.244 -1.591 0.120 0.00 0.00 +0.122 HD ATOM 16 C LIG 1 4.644 -0.072 -1.131 0.00 0.00 +0.100 C ATOM 17 C LIG 1 3.349 0.714 -0.804 0.00 0.00 +0.123 C ATOM 18 O LIG 1 2.000 0.508 2.598 0.00 0.00 -0.270 OA BRANCH 13 19 ATOM 19 C LIG 1 6.779 0.110 1.396 0.00 0.00 +0.176 C BRANCH 19 20 ATOM 20 O LIG 1 7.026 0.708 2.666 0.00 0.00 -0.393 OA ATOM 21 H LIG 1 6.844 0.031 3.342 0.00 0.00 +0.209 HD ENDBRANCH 19 20 ENDBRANCH 13 19 ENDBRANCH 9 10 BRANCH 2 22 ATOM 22 C LIG 1 -2.523 -0.926 -0.091 0.00 0.00 +0.091 C ATOM 23 C LIG 1 -3.100 -2.156 0.628 0.00 0.00 +0.025 C ATOM 24 C LIG 1 -4.627 -2.087 0.719 0.00 0.00 +0.002 C ATOM 25 C LIG 1 -5.284 -1.405 -0.483 0.00 0.00 +0.000 C ATOM 26 C LIG 1 -4.413 -1.474 -1.731 0.00 0.00 +0.002 C ATOM 27 C LIG 1 -3.072 -0.767 -1.522 0.00 0.00 +0.025 C ENDBRANCH 2 22 BRANCH 1 28 ATOM 28 O LIG 1 -0.826 1.262 1.125 0.00 0.00 -0.438 OA BRANCH 28 31 ATOM 29 C LIG 1 -0.106 2.233 -1.625 0.00 0.00 +0.047 C ATOM 30 C LIG 1 -1.355 2.596 -0.875 0.00 0.00 -0.008 A ATOM 31 C LIG 1 -1.636 2.132 0.424 0.00 0.00 +0.136 A ATOM 32 C LIG 1 -2.770 2.603 1.121 0.00 0.00 -0.008 A ATOM 33 C LIG 1 -3.034 2.178 2.540 0.00 0.00 +0.047 C ATOM 34 C LIG 1 -3.667 3.462 0.475 0.00 0.00 +0.007 A ATOM 35 C LIG 1 -3.428 3.874 -0.833 0.00 0.00 +0.001 A ATOM 36 C LIG 1 -2.279 3.451 -1.498 0.00 0.00 +0.007 A ENDBRANCH 28 31 ENDBRANCH 1 28 TORSDOF 6