REMARK Name = BDB014184 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -1.109 2.762 -2.547 0.00 0.00 -0.270 OA ATOM 2 C LIG 1 -0.492 1.700 -2.569 0.00 0.00 +0.249 C ATOM 3 N LIG 1 0.879 1.606 -2.768 0.00 0.00 -0.294 N ATOM 4 C LIG 1 1.658 0.363 -2.626 0.00 0.00 +0.127 C ATOM 5 C LIG 1 3.129 0.539 -3.038 0.00 0.00 +0.125 C ATOM 6 N LIG 1 3.783 1.652 -2.312 0.00 0.00 -0.312 N ATOM 7 C LIG 1 2.924 2.845 -2.087 0.00 0.00 +0.125 C ATOM 8 C LIG 1 1.660 2.832 -2.966 0.00 0.00 +0.127 C ENDROOT BRANCH 6 9 ATOM 9 C LIG 1 4.448 1.253 -1.128 0.00 0.00 +0.124 A ATOM 10 N LIG 1 4.202 0.035 -0.609 0.00 0.00 -0.211 NA ATOM 11 C LIG 1 4.872 -0.275 0.516 0.00 0.00 +0.180 A ATOM 12 C LIG 1 5.772 0.580 1.132 0.00 0.00 +0.086 A ATOM 13 N LIG 1 6.219 -0.121 2.218 0.00 0.00 -0.333 N ATOM 14 H LIG 1 6.913 0.191 2.885 0.00 0.00 +0.167 HD ATOM 15 C LIG 1 5.583 -1.344 2.236 0.00 0.00 +0.215 A ATOM 16 C LIG 1 6.054 1.837 0.621 0.00 0.00 +0.033 A ATOM 17 N LIG 1 4.761 -1.453 1.203 0.00 0.00 -0.204 NA ATOM 18 C LIG 1 5.358 2.154 -0.547 0.00 0.00 +0.046 A BRANCH 15 19 ATOM 19 C LIG 1 5.866 -2.325 3.323 0.00 0.00 +0.450 C ATOM 20 F LIG 1 4.965 -2.237 4.335 0.00 0.00 -0.163 F ATOM 21 F LIG 1 7.088 -2.087 3.881 0.00 0.00 -0.163 F ATOM 22 F LIG 1 5.876 -3.612 2.898 0.00 0.00 -0.163 F ENDBRANCH 15 19 ENDBRANCH 6 9 BRANCH 2 23 ATOM 23 C LIG 1 -1.250 0.465 -2.325 0.00 0.00 +0.072 A ATOM 24 C LIG 1 -1.540 -0.397 -3.377 0.00 0.00 +0.135 A ATOM 25 F LIG 1 -1.103 -0.139 -4.619 0.00 0.00 -0.205 F ATOM 26 C LIG 1 -2.279 -1.554 -3.151 0.00 0.00 +0.039 A ATOM 27 C LIG 1 -2.736 -1.845 -1.864 0.00 0.00 +0.007 A ATOM 28 C LIG 1 -2.454 -0.980 -0.793 0.00 0.00 -0.041 A ATOM 29 C LIG 1 -1.717 0.190 -1.035 0.00 0.00 +0.020 A BRANCH 28 30 ATOM 30 C LIG 1 -2.970 -1.288 0.595 0.00 0.00 +0.093 C BRANCH 30 31 ATOM 31 C LIG 1 -4.340 -0.704 0.924 0.00 0.00 +0.074 A ATOM 32 C LIG 1 -4.957 -1.048 2.232 0.00 0.00 +0.011 A ATOM 33 C LIG 1 -6.208 -0.500 2.512 0.00 0.00 +0.050 A ATOM 34 C LIG 1 -6.855 -0.782 3.723 0.00 0.00 +0.014 A ATOM 35 C LIG 1 -6.244 -1.617 4.657 0.00 0.00 +0.001 A ATOM 36 C LIG 1 -4.990 -2.164 4.385 0.00 0.00 +0.001 A ATOM 37 C LIG 1 -6.845 0.382 1.522 0.00 0.00 +0.272 A ATOM 38 O LIG 1 -7.940 0.893 1.730 0.00 0.00 -0.266 OA ATOM 39 N LIG 1 -6.139 0.597 0.366 0.00 0.00 -0.242 N ATOM 40 H LIG 1 -6.551 1.215 -0.327 0.00 0.00 +0.192 HD ATOM 41 C LIG 1 -4.344 -1.881 3.176 0.00 0.00 +0.010 A ATOM 42 N LIG 1 -4.920 0.080 0.063 0.00 0.00 -0.175 NA ENDBRANCH 30 31 ENDBRANCH 28 30 ENDBRANCH 2 23 TORSDOF 5