REMARK Name = BDB065260 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.423 -0.525 -0.178 0.00 0.00 -0.323 N ATOM 2 C LIG 1 0.943 -0.644 0.063 0.00 0.00 +0.069 A ATOM 3 C LIG 1 1.475 0.585 -0.298 0.00 0.00 +0.090 A ATOM 4 C LIG 1 2.853 0.817 -0.184 0.00 0.00 +0.038 A ATOM 5 C LIG 1 3.677 -0.210 0.295 0.00 0.00 -0.011 A ATOM 6 C LIG 1 3.123 -1.448 0.645 0.00 0.00 +0.011 A ATOM 7 N LIG 1 0.496 1.420 -0.743 0.00 0.00 -0.230 NA ATOM 8 C LIG 1 1.747 -1.691 0.536 0.00 0.00 +0.028 A ATOM 9 C LIG 1 -0.647 0.761 -0.648 0.00 0.00 +0.132 A ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 5.104 0.010 0.409 0.00 0.00 +0.047 A ATOM 11 C LIG 1 5.832 -0.109 1.573 0.00 0.00 +0.142 A ATOM 12 C LIG 1 5.511 -0.452 2.971 0.00 0.00 +0.090 C ATOM 13 O LIG 1 7.137 0.176 1.314 0.00 0.00 -0.359 OA ATOM 14 N LIG 1 7.287 0.501 -0.020 0.00 0.00 -0.083 NA ATOM 15 C LIG 1 6.065 0.406 -0.559 0.00 0.00 +0.088 A ATOM 16 C LIG 1 5.865 0.694 -1.998 0.00 0.00 +0.070 C ENDBRANCH 5 10 BRANCH 1 20 ATOM 17 C LIG 1 -3.090 -3.881 0.075 0.00 0.00 +0.118 C ATOM 18 C LIG 1 -2.573 -3.485 -1.310 0.00 0.00 +0.033 C ATOM 19 C LIG 1 -1.339 -2.576 -1.237 0.00 0.00 +0.027 C ATOM 20 C LIG 1 -1.336 -1.656 0.000 0.00 0.00 +0.089 C ATOM 21 C LIG 1 -2.768 -1.358 0.455 0.00 0.00 +0.027 C ATOM 22 C LIG 1 -3.499 -2.639 0.887 0.00 0.00 +0.033 C BRANCH 17 24 ATOM 23 C LIG 1 -2.482 -5.510 1.704 0.00 0.00 +0.194 C ATOM 24 O LIG 1 -2.023 -4.568 0.741 0.00 0.00 -0.380 OA ENDBRANCH 17 24 ENDBRANCH 1 20 BRANCH 9 25 ATOM 25 C LIG 1 -1.977 1.367 -1.025 0.00 0.00 +0.148 C ATOM 26 N LIG 1 -1.915 2.827 -1.015 0.00 0.00 -0.261 N ATOM 27 C LIG 1 -1.705 3.320 -2.315 0.00 0.00 +0.220 C ATOM 28 O LIG 1 -1.570 4.473 -2.697 0.00 0.00 -0.275 OA ATOM 29 C LIG 1 -1.661 2.144 -3.260 0.00 0.00 +0.098 C ATOM 30 C LIG 1 -2.347 1.048 -2.467 0.00 0.00 +0.040 C BRANCH 26 31 ATOM 31 C LIG 1 -1.981 3.605 0.180 0.00 0.00 +0.040 A ATOM 32 C LIG 1 -2.070 2.989 1.439 0.00 0.00 +0.064 A ATOM 33 C LIG 1 -2.140 3.751 2.606 0.00 0.00 +0.160 A ATOM 34 F LIG 1 -2.228 3.124 3.788 0.00 0.00 -0.202 F ATOM 35 C LIG 1 -2.124 5.134 2.550 0.00 0.00 +0.159 A ATOM 36 F LIG 1 -2.198 5.861 3.673 0.00 0.00 -0.202 F ATOM 37 C LIG 1 -2.036 5.772 1.324 0.00 0.00 +0.043 A ATOM 38 C LIG 1 -1.965 5.011 0.149 0.00 0.00 +0.026 A ENDBRANCH 26 31 ENDBRANCH 9 25 TORSDOF 5