REMARK Name = BDB022392 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.963 1.841 0.732 0.00 0.00 -0.035 A ATOM 2 C LIG 1 1.652 1.335 0.708 0.00 0.00 +0.013 A ATOM 3 C LIG 1 0.760 1.652 -0.332 0.00 0.00 -0.018 A ATOM 4 C LIG 1 1.213 2.498 -1.355 0.00 0.00 +0.008 A ATOM 5 C LIG 1 2.510 3.012 -1.342 0.00 0.00 +0.001 A ATOM 6 C LIG 1 3.381 2.687 -0.304 0.00 0.00 +0.004 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -0.608 1.112 -0.347 0.00 0.00 -0.018 A ATOM 8 C LIG 1 -1.721 1.961 -0.429 0.00 0.00 +0.010 A ATOM 9 C LIG 1 -3.027 1.451 -0.444 0.00 0.00 +0.024 A ATOM 10 C LIG 1 -3.251 0.077 -0.379 0.00 0.00 +0.034 A ATOM 11 C LIG 1 -2.147 -0.779 -0.297 0.00 0.00 +0.024 A ATOM 12 C LIG 1 -0.844 -0.269 -0.282 0.00 0.00 +0.010 A BRANCH 10 13 ATOM 13 N LIG 1 -4.531 -0.518 -0.387 0.00 0.00 -0.282 N ATOM 14 H LIG 1 -4.539 -1.527 -0.327 0.00 0.00 +0.155 HD ATOM 15 C LIG 1 -5.751 0.123 -0.471 0.00 0.00 +0.241 C ATOM 16 O LIG 1 -5.949 1.327 -0.565 0.00 0.00 -0.271 OA BRANCH 15 17 ATOM 17 C LIG 1 -6.886 -0.846 -0.441 0.00 0.00 +0.064 C ATOM 18 C LIG 1 -8.155 -0.412 -0.500 0.00 0.00 -0.007 C BRANCH 18 19 ATOM 19 C LIG 1 -9.357 -1.308 -0.480 0.00 0.00 +0.111 C BRANCH 19 20 ATOM 20 N LIG 1 -10.300 -0.939 0.582 0.00 0.00 -0.305 NA ATOM 21 C LIG 1 -9.772 -1.246 1.914 0.00 0.00 +0.104 C ATOM 22 C LIG 1 -11.578 -1.627 0.386 0.00 0.00 +0.104 C ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 15 17 ENDBRANCH 10 13 ENDBRANCH 3 7 BRANCH 1 24 ATOM 23 C LIG 1 4.160 2.683 2.771 0.00 0.00 +0.022 C ATOM 24 C LIG 1 3.901 1.471 1.873 0.00 0.00 +0.102 C BRANCH 24 25 ATOM 25 C LIG 1 5.213 0.844 1.374 0.00 0.00 +0.225 C ATOM 26 N LIG 1 5.005 -0.291 0.619 0.00 0.00 -0.268 N ATOM 27 H LIG 1 4.069 -0.581 0.370 0.00 0.00 +0.156 HD ATOM 28 O LIG 1 6.312 1.310 1.667 0.00 0.00 -0.275 OA BRANCH 26 29 ATOM 29 C LIG 1 5.982 -1.074 0.059 0.00 0.00 +0.147 A ATOM 30 N LIG 1 5.611 -2.124 -0.682 0.00 0.00 -0.158 NA ATOM 31 N LIG 1 6.774 -2.668 -1.081 0.00 0.00 -0.280 N ATOM 32 H LIG 1 6.750 -3.493 -1.671 0.00 0.00 +0.189 HD ATOM 33 C LIG 1 7.866 -2.002 -0.618 0.00 0.00 +0.041 A ATOM 34 C LIG 1 7.388 -0.961 0.138 0.00 0.00 +0.068 A BRANCH 33 35 ATOM 35 C LIG 1 9.342 -2.368 -0.873 0.00 0.00 +0.037 C ATOM 36 C LIG 1 9.830 -2.467 -2.294 0.00 0.00 +0.010 C ATOM 37 C LIG 1 10.269 -1.321 -1.431 0.00 0.00 +0.010 C ENDBRANCH 33 35 ENDBRANCH 26 29 ENDBRANCH 24 25 ENDBRANCH 1 24 TORSDOF 9