REMARK Name = BDB047109 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.803 0.346 0.568 0.00 0.00 +0.080 A ATOM 2 C LIG 1 -0.619 0.562 1.944 0.00 0.00 +0.129 A ATOM 3 C LIG 1 0.663 0.743 2.473 0.00 0.00 +0.048 A ATOM 4 C LIG 1 1.782 0.713 1.637 0.00 0.00 +0.031 A ATOM 5 C LIG 1 1.625 0.502 0.262 0.00 0.00 +0.068 A ATOM 6 C LIG 1 0.334 0.319 -0.264 0.00 0.00 +0.044 A ENDROOT BRANCH 5 7 ATOM 7 N LIG 1 2.749 0.472 -0.606 0.00 0.00 -0.220 N ATOM 8 N LIG 1 2.621 0.277 -1.939 0.00 0.00 -0.060 NA ATOM 9 N LIG 1 3.826 0.297 -2.490 0.00 0.00 -0.133 NA ATOM 10 C LIG 1 4.745 0.508 -1.500 0.00 0.00 +0.100 A ATOM 11 C LIG 1 4.080 0.628 -0.297 0.00 0.00 +0.141 A BRANCH 10 12 ATOM 12 C LIG 1 6.205 0.584 -1.822 0.00 0.00 +0.163 C BRANCH 12 13 ATOM 13 N LIG 1 7.111 1.092 -0.800 0.00 0.00 -0.308 N ATOM 14 H LIG 1 6.827 1.970 -0.385 0.00 0.00 +0.149 HD BRANCH 13 15 ATOM 15 C LIG 1 7.371 0.221 0.243 0.00 0.00 +0.215 A ATOM 16 N LIG 1 7.485 -1.095 0.020 0.00 0.00 -0.223 NA ATOM 17 C LIG 1 7.756 -1.877 1.082 0.00 0.00 +0.116 A ATOM 18 C LIG 1 7.907 -1.394 2.357 0.00 0.00 +0.039 A ATOM 19 C LIG 1 7.758 -0.036 2.486 0.00 0.00 +0.116 A ATOM 20 N LIG 1 7.483 0.785 1.454 0.00 0.00 -0.223 NA ENDBRANCH 13 15 ENDBRANCH 12 13 ENDBRANCH 10 12 ENDBRANCH 5 7 BRANCH 1 23 ATOM 21 N LIG 1 -3.243 0.183 0.738 0.00 0.00 -0.281 N ATOM 22 H LIG 1 -3.038 0.352 1.720 0.00 0.00 +0.155 HD ATOM 23 C LIG 1 -2.141 0.141 -0.092 0.00 0.00 +0.252 C ATOM 24 O LIG 1 -2.172 -0.046 -1.303 0.00 0.00 -0.270 OA BRANCH 21 27 ATOM 25 C LIG 1 -6.443 -0.355 -1.145 0.00 0.00 +0.061 A ATOM 26 C LIG 1 -5.067 -0.216 -0.895 0.00 0.00 +0.038 A ATOM 27 C LIG 1 -4.601 0.029 0.399 0.00 0.00 +0.034 A ATOM 28 C LIG 1 -5.528 0.132 1.446 0.00 0.00 +0.023 A ATOM 29 C LIG 1 -6.896 -0.004 1.207 0.00 0.00 +0.003 A ATOM 30 C LIG 1 -7.355 -0.247 -0.086 0.00 0.00 +0.015 A BRANCH 25 31 ATOM 31 C LIG 1 -6.886 -0.618 -2.543 0.00 0.00 +0.339 C ATOM 32 O LIG 1 -6.124 -0.786 -3.481 0.00 0.00 -0.245 OA BRANCH 31 34 ATOM 33 C LIG 1 -8.743 -0.883 -3.932 0.00 0.00 +0.280 C ATOM 34 O LIG 1 -8.242 -0.640 -2.617 0.00 0.00 -0.464 OA ENDBRANCH 31 34 ENDBRANCH 25 31 ENDBRANCH 21 27 ENDBRANCH 1 23 BRANCH 2 35 ATOM 35 O LIG 1 -1.688 0.601 2.803 0.00 0.00 -0.506 OA ATOM 36 H LIG 1 -1.361 0.755 3.708 0.00 0.00 +0.292 HD ENDBRANCH 2 35 TORSDOF 9