REMARK Name = BDB065270 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.170 0.500 0.535 0.00 0.00 -0.323 N ATOM 2 C LIG 1 1.178 0.400 0.214 0.00 0.00 +0.069 A ATOM 3 C LIG 1 1.452 -0.960 0.261 0.00 0.00 +0.090 A ATOM 4 C LIG 1 2.744 -1.432 -0.015 0.00 0.00 +0.038 A ATOM 5 C LIG 1 3.748 -0.511 -0.340 0.00 0.00 -0.011 A ATOM 6 C LIG 1 3.453 0.857 -0.389 0.00 0.00 +0.011 A ATOM 7 N LIG 1 0.335 -1.667 0.591 0.00 0.00 -0.230 NA ATOM 8 C LIG 1 2.167 1.340 -0.113 0.00 0.00 +0.028 A ATOM 9 C LIG 1 -0.636 -0.790 0.761 0.00 0.00 +0.132 A ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 5.084 -0.983 -0.641 0.00 0.00 +0.047 A ATOM 11 C LIG 1 6.228 -0.596 0.023 0.00 0.00 +0.142 A ATOM 12 C LIG 1 6.523 0.315 1.146 0.00 0.00 +0.090 C ATOM 13 O LIG 1 7.298 -1.239 -0.518 0.00 0.00 -0.359 OA ATOM 14 N LIG 1 6.875 -2.072 -1.536 0.00 0.00 -0.083 NA ATOM 15 C LIG 1 5.546 -1.921 -1.602 0.00 0.00 +0.088 A ATOM 16 C LIG 1 4.762 -2.685 -2.601 0.00 0.00 +0.070 C ENDBRANCH 5 10 BRANCH 9 17 ATOM 17 C LIG 1 -2.038 -1.182 1.153 0.00 0.00 +0.151 C ATOM 18 N LIG 1 -2.405 -2.488 0.610 0.00 0.00 -0.259 N ATOM 19 C LIG 1 -2.224 -3.494 1.580 0.00 0.00 +0.255 C ATOM 20 O LIG 1 -2.368 -4.704 1.462 0.00 0.00 -0.272 OA ATOM 21 C LIG 1 -1.816 -2.835 2.880 0.00 0.00 +0.254 C ATOM 22 F LIG 1 -0.492 -2.957 3.159 0.00 0.00 -0.236 F ATOM 23 C LIG 1 -2.163 -1.377 2.663 0.00 0.00 +0.077 C BRANCH 18 24 ATOM 24 C LIG 1 -2.812 -2.709 -0.741 0.00 0.00 +0.039 A ATOM 25 C LIG 1 -3.343 -3.941 -1.160 0.00 0.00 +0.046 A ATOM 26 C LIG 1 -3.753 -4.143 -2.483 0.00 0.00 +0.078 A ATOM 27 CL LIG 1 -4.413 -5.665 -2.946 0.00 0.00 -0.081 Cl ATOM 28 C LIG 1 -3.638 -3.116 -3.411 0.00 0.00 +0.142 A ATOM 29 F LIG 1 -4.027 -3.284 -4.683 0.00 0.00 -0.204 F ATOM 30 C LIG 1 -3.115 -1.890 -3.028 0.00 0.00 +0.041 A ATOM 31 C LIG 1 -2.709 -1.692 -1.704 0.00 0.00 +0.026 A ENDBRANCH 18 24 ENDBRANCH 9 17 BRANCH 1 35 ATOM 32 C LIG 1 -2.442 4.142 0.618 0.00 0.00 +0.118 C ATOM 33 C LIG 1 -2.655 3.173 1.783 0.00 0.00 +0.033 C ATOM 34 C LIG 1 -1.528 2.138 1.910 0.00 0.00 +0.027 C ATOM 35 C LIG 1 -0.893 1.774 0.558 0.00 0.00 +0.089 C ATOM 36 C LIG 1 -1.883 1.942 -0.600 0.00 0.00 +0.027 C ATOM 37 C LIG 1 -2.390 3.387 -0.721 0.00 0.00 +0.033 C BRANCH 32 39 ATOM 38 C LIG 1 -1.151 6.114 0.278 0.00 0.00 +0.194 C ATOM 39 O LIG 1 -1.199 4.813 0.851 0.00 0.00 -0.380 OA ENDBRANCH 32 39 ENDBRANCH 1 35 TORSDOF 5