REMARK Name = BDB034542 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.469 -0.172 1.317 0.00 0.00 +0.031 C ENDROOT BRANCH 1 6 ATOM 2 C LIG 1 -2.784 -4.084 -1.175 0.00 0.00 +0.009 C ATOM 3 C LIG 1 -3.167 -3.668 0.245 0.00 0.00 +0.005 C ATOM 4 C LIG 1 -4.489 -2.899 0.284 0.00 0.00 +0.110 C ATOM 5 N LIG 1 -4.109 -1.508 0.021 0.00 0.00 -0.310 N ATOM 6 C LIG 1 -2.680 -1.296 0.287 0.00 0.00 +0.076 C ATOM 7 C LIG 1 -2.193 -2.654 0.832 0.00 0.00 +0.027 C BRANCH 5 8 ATOM 8 C LIG 1 -4.965 -0.650 -0.650 0.00 0.00 +0.143 A ATOM 9 N LIG 1 -6.243 -0.942 -0.672 0.00 0.00 -0.156 NA ATOM 10 N LIG 1 -7.095 -0.103 -1.320 0.00 0.00 -0.241 N ATOM 11 H LIG 1 -8.078 -0.355 -1.299 0.00 0.00 +0.192 HD ATOM 12 C LIG 1 -6.753 1.055 -1.963 0.00 0.00 +0.277 A ATOM 13 O LIG 1 -7.593 1.767 -2.502 0.00 0.00 -0.266 OA ATOM 14 C LIG 1 -5.324 1.380 -1.969 0.00 0.00 +0.124 A ATOM 15 C LIG 1 -4.461 0.568 -1.345 0.00 0.00 +0.063 A BRANCH 14 16 ATOM 16 C LIG 1 -4.964 2.610 -2.701 0.00 0.00 +0.423 C ATOM 17 F LIG 1 -5.308 2.563 -4.013 0.00 0.00 -0.166 F ATOM 18 F LIG 1 -3.619 2.833 -2.682 0.00 0.00 -0.166 F ATOM 19 F LIG 1 -5.528 3.724 -2.168 0.00 0.00 -0.166 F ENDBRANCH 14 16 ENDBRANCH 5 8 ENDBRANCH 1 6 BRANCH 1 20 ATOM 20 C LIG 1 -0.995 0.118 1.619 0.00 0.00 +0.098 C BRANCH 20 21 ATOM 21 C LIG 1 -0.261 0.734 0.437 0.00 0.00 +0.216 C ATOM 22 N LIG 1 1.105 0.911 0.579 0.00 0.00 -0.298 N ATOM 23 C LIG 1 1.861 0.603 1.800 0.00 0.00 +0.126 C ATOM 24 C LIG 1 3.282 1.196 1.815 0.00 0.00 +0.127 C ATOM 25 N LIG 1 4.001 0.823 0.602 0.00 0.00 -0.297 N ATOM 26 C LIG 1 3.277 0.821 -0.673 0.00 0.00 +0.127 C ATOM 27 C LIG 1 1.879 1.452 -0.544 0.00 0.00 +0.126 C ATOM 28 O LIG 1 -0.861 1.050 -0.590 0.00 0.00 -0.276 OA BRANCH 25 29 ATOM 29 C LIG 1 5.370 0.972 0.573 0.00 0.00 +0.218 A ATOM 30 N LIG 1 6.011 1.318 1.702 0.00 0.00 -0.222 NA ATOM 31 C LIG 1 7.354 1.440 1.656 0.00 0.00 +0.128 A ATOM 32 C LIG 1 8.097 1.234 0.522 0.00 0.00 +0.091 A ATOM 33 C LIG 1 7.367 0.874 -0.581 0.00 0.00 +0.128 A ATOM 34 N LIG 1 6.025 0.742 -0.577 0.00 0.00 -0.222 NA BRANCH 32 35 ATOM 35 C LIG 1 9.575 1.347 0.500 0.00 0.00 +0.420 C ATOM 36 F LIG 1 10.060 2.207 1.437 0.00 0.00 -0.166 F ATOM 37 F LIG 1 10.190 0.156 0.733 0.00 0.00 -0.166 F ATOM 38 F LIG 1 10.057 1.789 -0.694 0.00 0.00 -0.166 F ENDBRANCH 32 35 ENDBRANCH 25 29 ENDBRANCH 20 21 ENDBRANCH 1 20 TORSDOF 7