REMARK Name = BDB002393 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.862 -0.007 1.339 0.00 0.00 +0.188 C ENDROOT BRANCH 1 3 ATOM 2 C LIG 1 -1.581 -0.517 1.222 0.00 0.00 +0.234 C ATOM 3 N LIG 1 -0.275 -0.911 1.094 0.00 0.00 -0.300 N ATOM 4 H LIG 1 -0.035 -1.803 0.673 0.00 0.00 +0.150 HD ATOM 5 O LIG 1 -1.859 0.573 1.732 0.00 0.00 -0.274 OA BRANCH 2 6 ATOM 6 C LIG 1 -2.679 -1.554 0.852 0.00 0.00 +0.161 C BRANCH 6 8 ATOM 7 C LIG 1 -4.109 0.037 -0.438 0.00 0.00 +0.230 C ATOM 8 N LIG 1 -3.947 -0.866 0.593 0.00 0.00 -0.302 N ATOM 9 H LIG 1 -4.543 -0.727 1.399 0.00 0.00 +0.150 HD ATOM 10 O LIG 1 -3.214 0.315 -1.234 0.00 0.00 -0.274 OA BRANCH 7 11 ATOM 11 C LIG 1 -5.485 0.758 -0.460 0.00 0.00 +0.137 C ATOM 12 C LIG 1 -6.644 -0.231 -0.381 0.00 0.00 +0.034 C BRANCH 11 14 ATOM 13 C LIG 1 -6.285 2.791 -1.529 0.00 0.00 +0.101 C ATOM 14 N LIG 1 -5.599 1.523 -1.722 0.00 0.00 -0.309 NA ATOM 15 H LIG 1 -4.645 1.706 -2.056 0.00 0.00 +0.122 HD ENDBRANCH 11 14 ENDBRANCH 7 11 ENDBRANCH 6 8 BRANCH 6 16 ATOM 16 C LIG 1 -2.325 -2.690 -0.141 0.00 0.00 +0.012 C ATOM 17 C LIG 1 -1.902 -2.251 -1.542 0.00 0.00 +0.009 C ATOM 18 C LIG 1 -3.469 -3.707 -0.247 0.00 0.00 +0.009 C ENDBRANCH 6 16 ENDBRANCH 2 6 ENDBRANCH 1 3 BRANCH 1 19 ATOM 19 C LIG 1 2.087 -0.672 0.679 0.00 0.00 +0.240 C ATOM 20 N LIG 1 3.050 0.239 0.275 0.00 0.00 -0.283 N ATOM 21 H LIG 1 2.815 1.211 0.409 0.00 0.00 +0.155 HD ATOM 22 O LIG 1 2.132 -1.896 0.561 0.00 0.00 -0.273 OA BRANCH 20 23 ATOM 23 C LIG 1 4.310 -0.016 -0.331 0.00 0.00 +0.041 A ATOM 24 C LIG 1 5.155 1.089 -0.684 0.00 0.00 +0.003 A ATOM 25 C LIG 1 6.412 0.813 -1.288 0.00 0.00 -0.016 A ATOM 26 C LIG 1 7.276 1.859 -1.653 0.00 0.00 +0.008 A ATOM 27 C LIG 1 6.930 3.189 -1.434 0.00 0.00 +0.001 A ATOM 28 C LIG 1 5.713 3.490 -0.845 0.00 0.00 +0.001 A ATOM 29 C LIG 1 6.804 -0.509 -1.527 0.00 0.00 +0.008 A ATOM 30 C LIG 1 5.978 -1.569 -1.178 0.00 0.00 +0.002 A ATOM 31 C LIG 1 4.841 2.460 -0.476 0.00 0.00 +0.010 A ATOM 32 C LIG 1 4.742 -1.324 -0.585 0.00 0.00 +0.024 A ENDBRANCH 20 23 ENDBRANCH 1 19 BRANCH 1 33 ATOM 33 C LIG 1 1.044 0.270 2.852 0.00 0.00 +0.141 C ATOM 34 C LIG 1 2.453 0.653 3.291 0.00 0.00 +0.040 C BRANCH 33 35 ATOM 35 O LIG 1 0.204 1.366 3.248 0.00 0.00 -0.390 OA ATOM 36 H LIG 1 -0.684 1.210 2.853 0.00 0.00 +0.210 HD ENDBRANCH 33 35 ENDBRANCH 1 33 TORSDOF 10