REMARK Name = BDB064898 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.798 -0.192 -2.390 0.00 0.00 +0.138 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.634 -1.392 -1.991 0.00 0.00 +0.045 A ATOM 3 C LIG 1 -2.534 -1.321 -0.905 0.00 0.00 +0.140 A ATOM 4 O LIG 1 -2.653 -0.091 -0.310 0.00 0.00 -0.455 OA ATOM 5 C LIG 1 -3.502 0.086 0.752 0.00 0.00 +0.140 A ATOM 6 C LIG 1 -3.584 1.402 1.262 0.00 0.00 +0.047 A ATOM 7 C LIG 1 -4.371 1.659 2.399 0.00 0.00 +0.127 A ATOM 8 C LIG 1 -5.097 0.621 2.978 0.00 0.00 +0.046 A ATOM 9 C LIG 1 -5.037 -0.666 2.438 0.00 0.00 +0.012 A ATOM 10 C LIG 1 -4.239 -0.957 1.317 0.00 0.00 +0.005 A ATOM 11 C LIG 1 -4.183 -2.365 0.726 0.00 0.00 +0.022 C ATOM 12 C LIG 1 -5.609 -2.775 0.287 0.00 0.00 +0.021 C ATOM 13 C LIG 1 -3.670 -3.342 1.810 0.00 0.00 +0.021 C ATOM 14 C LIG 1 -3.251 -2.445 -0.482 0.00 0.00 +0.005 A ATOM 15 C LIG 1 -3.072 -3.650 -1.189 0.00 0.00 +0.012 A ATOM 16 C LIG 1 -2.192 -3.734 -2.268 0.00 0.00 +0.046 A ATOM 17 C LIG 1 -1.454 -2.618 -2.648 0.00 0.00 +0.127 A BRANCH 7 18 ATOM 18 O LIG 1 -4.366 2.953 2.851 0.00 0.00 -0.495 OA ATOM 19 C LIG 1 -5.017 3.217 4.089 0.00 0.00 +0.277 C ENDBRANCH 7 18 BRANCH 17 20 ATOM 20 O LIG 1 -0.572 -2.662 -3.698 0.00 0.00 -0.495 OA ATOM 21 C LIG 1 0.393 -3.705 -3.554 0.00 0.00 +0.277 C ENDBRANCH 17 20 BRANCH 6 22 ATOM 22 C LIG 1 -2.811 2.531 0.610 0.00 0.00 +0.163 C BRANCH 22 23 ATOM 23 C LIG 1 -1.485 2.813 1.269 0.00 0.00 +0.309 C ATOM 24 O LIG 1 -0.836 2.079 1.998 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -1.007 4.028 0.914 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -0.171 4.140 1.431 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 22 23 ENDBRANCH 6 22 ENDBRANCH 1 2 BRANCH 1 29 ATOM 27 C LIG 1 2.799 0.819 -1.616 0.00 0.00 +0.201 C ATOM 28 N LIG 1 1.398 0.911 -1.986 0.00 0.00 -0.267 N ATOM 29 C LIG 1 0.595 -0.200 -1.763 0.00 0.00 +0.222 C ATOM 30 O LIG 1 1.009 -1.153 -1.099 0.00 0.00 -0.275 OA ATOM 31 C LIG 1 1.167 1.938 -3.004 0.00 0.00 +0.161 C ATOM 32 C LIG 1 0.296 3.089 -2.527 0.00 0.00 +0.038 C ATOM 33 C LIG 1 2.580 2.446 -3.266 0.00 0.00 +0.237 C ATOM 34 O LIG 1 2.888 3.245 -4.139 0.00 0.00 -0.274 OA ATOM 35 N LIG 1 3.438 1.885 -2.340 0.00 0.00 -0.280 N ATOM 36 C LIG 1 4.874 1.957 -2.472 0.00 0.00 +0.134 C BRANCH 27 38 ATOM 37 C LIG 1 3.850 -0.010 0.553 0.00 0.00 +0.169 A ATOM 38 C LIG 1 3.041 0.927 -0.119 0.00 0.00 +0.038 A ATOM 39 C LIG 1 2.476 1.986 0.621 0.00 0.00 +0.043 A ATOM 40 C LIG 1 2.687 2.082 2.004 0.00 0.00 +0.130 A ATOM 41 C LIG 1 3.436 1.117 2.676 0.00 0.00 +0.082 A ATOM 42 C LIG 1 3.986 0.060 1.951 0.00 0.00 +0.164 A BRANCH 40 43 ATOM 43 N LIG 1 2.120 3.211 2.751 0.00 0.00 +0.057 N ATOM 44 O LIG 1 1.427 4.032 2.124 0.00 0.00 -0.126 OA ATOM 45 O LIG 1 2.384 3.300 3.958 0.00 0.00 -0.126 OA ENDBRANCH 40 43 BRANCH 42 46 ATOM 46 O LIG 1 4.676 -0.885 2.666 0.00 0.00 -0.491 OA ATOM 47 C LIG 1 3.826 -2.010 2.916 0.00 0.00 +0.277 C ENDBRANCH 42 46 BRANCH 37 48 ATOM 48 O LIG 1 4.433 -0.986 -0.216 0.00 0.00 -0.488 OA BRANCH 48 50 ATOM 49 C LIG 1 6.464 -1.726 -1.217 0.00 0.00 +0.048 C ATOM 50 C LIG 1 5.817 -1.222 0.061 0.00 0.00 +0.226 C ENDBRANCH 48 50 ENDBRANCH 37 48 ENDBRANCH 27 38 ENDBRANCH 1 29 TORSDOF 12