REMARK Name = BDB062737 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.279 -1.192 -0.278 0.00 0.00 +0.018 A ATOM 2 C LIG 1 -0.786 -2.390 0.255 0.00 0.00 +0.018 A ATOM 3 C LIG 1 0.582 -2.695 0.182 0.00 0.00 -0.008 A ATOM 4 C LIG 1 1.086 -3.985 0.764 0.00 0.00 +0.047 C ATOM 5 C LIG 1 1.454 -1.756 -0.393 0.00 0.00 +0.126 A ATOM 6 C LIG 1 0.974 -0.565 -0.960 0.00 0.00 -0.008 A ATOM 7 C LIG 1 1.898 0.426 -1.609 0.00 0.00 +0.047 C ATOM 8 C LIG 1 -0.397 -0.282 -0.874 0.00 0.00 +0.018 A ENDROOT BRANCH 1 16 ATOM 9 C LIG 1 -6.229 2.345 0.063 0.00 0.00 +0.126 A ATOM 10 C LIG 1 -4.882 1.992 -0.004 0.00 0.00 +0.074 A ATOM 11 C LIG 1 -4.490 0.655 -0.101 0.00 0.00 +0.085 A ATOM 12 C LIG 1 -5.473 -0.343 -0.134 0.00 0.00 +0.106 A ATOM 13 C LIG 1 -4.981 -1.738 -0.250 0.00 0.00 +0.263 A ATOM 14 N LIG 1 -3.615 -1.892 -0.250 0.00 0.00 -0.306 N ATOM 15 H LIG 1 -3.307 -2.843 -0.384 0.00 0.00 +0.170 HD ATOM 16 C LIG 1 -2.724 -0.847 -0.219 0.00 0.00 +0.141 A ATOM 17 O LIG 1 -5.698 -2.726 -0.357 0.00 0.00 -0.267 OA ATOM 18 C LIG 1 -6.839 -0.007 -0.068 0.00 0.00 +0.138 A ATOM 19 N LIG 1 -3.112 0.385 -0.160 0.00 0.00 -0.229 NA ATOM 20 C LIG 1 -7.203 1.345 0.032 0.00 0.00 +0.092 A BRANCH 9 22 ATOM 21 C LIG 1 -7.814 4.118 0.228 0.00 0.00 +0.277 C ATOM 22 O LIG 1 -6.460 3.691 0.157 0.00 0.00 -0.495 OA ENDBRANCH 9 22 BRANCH 18 23 ATOM 23 O LIG 1 -7.743 -1.034 -0.092 0.00 0.00 -0.494 OA ATOM 24 C LIG 1 -9.128 -0.724 -0.129 0.00 0.00 +0.277 C ENDBRANCH 18 23 ENDBRANCH 1 16 BRANCH 5 25 ATOM 25 O LIG 1 2.795 -2.038 -0.465 0.00 0.00 -0.488 OA BRANCH 25 26 ATOM 26 C LIG 1 3.485 -1.521 0.689 0.00 0.00 +0.270 C BRANCH 26 27 ATOM 27 C LIG 1 4.969 -1.399 0.351 0.00 0.00 +0.270 C BRANCH 27 28 ATOM 28 O LIG 1 5.146 -0.281 -0.538 0.00 0.00 -0.488 OA BRANCH 28 29 ATOM 29 C LIG 1 6.446 0.146 -0.522 0.00 0.00 +0.133 A ATOM 30 C LIG 1 6.842 1.243 0.251 0.00 0.00 +0.078 A ATOM 31 C LIG 1 8.169 1.694 0.181 0.00 0.00 +0.017 A ATOM 32 C LIG 1 9.080 1.062 -0.668 0.00 0.00 +0.001 A ATOM 33 C LIG 1 8.671 -0.017 -1.453 0.00 0.00 +0.004 A ATOM 34 C LIG 1 7.353 -0.472 -1.386 0.00 0.00 +0.046 A BRANCH 30 35 ATOM 35 C LIG 1 5.890 1.919 1.165 0.00 0.00 +0.245 C ATOM 36 O LIG 1 5.126 1.304 1.896 0.00 0.00 -0.270 OA ATOM 37 N LIG 1 5.914 3.288 1.151 0.00 0.00 -0.325 N ATOM 38 H LIG 1 6.340 3.796 0.388 0.00 0.00 +0.145 HD ATOM 39 H LIG 1 5.174 3.748 1.666 0.00 0.00 +0.145 HD ENDBRANCH 30 35 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 5 25 TORSDOF 9