REMARK Name = BDB031705 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.362 -2.194 -1.333 0.00 0.00 -0.041 A ATOM 2 C LIG 1 0.574 -2.986 -0.477 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -0.664 -2.488 -0.052 0.00 0.00 +0.068 A ATOM 4 C LIG 1 -1.163 -1.252 -0.440 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -2.432 -1.134 0.215 0.00 0.00 +0.154 A ATOM 6 N LIG 1 -2.694 -2.228 0.937 0.00 0.00 -0.157 NA ATOM 7 C LIG 1 -0.389 -0.463 -1.311 0.00 0.00 +0.014 A ATOM 8 N LIG 1 -1.624 -3.011 0.766 0.00 0.00 -0.275 N ATOM 9 H LIG 1 -1.611 -3.906 1.241 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 0.853 -0.950 -1.746 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 3.884 0.909 1.097 0.00 0.00 +0.120 A ATOM 12 C LIG 1 3.506 -0.314 0.522 0.00 0.00 +0.052 A ATOM 13 C LIG 1 4.139 -0.750 -0.632 0.00 0.00 -0.007 A ATOM 14 C LIG 1 3.999 -1.977 -1.489 0.00 0.00 +0.081 C ATOM 15 C LIG 1 2.703 -2.680 -1.835 0.00 0.00 +0.040 C ATOM 16 C LIG 1 5.057 -1.802 -2.554 0.00 0.00 +0.228 C ATOM 17 N LIG 1 5.681 -0.591 -2.313 0.00 0.00 -0.284 N ATOM 18 H LIG 1 6.434 -0.243 -2.886 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 5.297 -2.595 -3.450 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 3.701 -3.323 -0.893 0.00 0.00 +0.031 C ATOM 21 C LIG 1 5.158 0.041 -1.183 0.00 0.00 +0.038 A ATOM 22 C LIG 1 5.557 1.246 -0.646 0.00 0.00 +0.027 A ATOM 23 C LIG 1 4.904 1.682 0.511 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 3.498 2.478 2.846 0.00 0.00 +0.277 C ATOM 25 O LIG 1 3.187 1.236 2.229 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 N LIG 1 -3.210 -0.041 0.055 0.00 0.00 -0.280 N ATOM 27 H LIG 1 -2.862 0.731 -0.500 0.00 0.00 +0.155 HD BRANCH 26 28 ATOM 28 C LIG 1 -4.390 0.347 0.723 0.00 0.00 +0.167 A ATOM 29 C LIG 1 -5.055 1.480 0.268 0.00 0.00 +0.164 A ATOM 30 O LIG 1 -4.638 2.281 -0.772 0.00 0.00 -0.488 OA ATOM 31 C LIG 1 -5.491 3.447 -0.664 0.00 0.00 +0.234 C ATOM 32 C LIG 1 -6.755 3.078 0.113 0.00 0.00 +0.080 C ATOM 33 C LIG 1 -6.242 1.901 0.843 0.00 0.00 +0.002 A ATOM 34 C LIG 1 -6.790 1.193 1.889 0.00 0.00 +0.027 A ATOM 35 C LIG 1 -6.080 0.080 2.311 0.00 0.00 +0.113 A ATOM 36 N LIG 1 -4.913 -0.347 1.758 0.00 0.00 -0.237 NA ENDBRANCH 26 28 ENDBRANCH 5 26 TORSDOF 4