REMARK Name = BDB064120 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.327 0.176 0.241 0.00 0.00 +0.072 A ATOM 2 C LIG 1 0.800 0.751 1.395 0.00 0.00 +0.135 A ATOM 3 F LIG 1 -0.305 1.509 1.347 0.00 0.00 -0.205 F ATOM 4 C LIG 1 1.404 0.531 2.629 0.00 0.00 +0.039 A ATOM 5 C LIG 1 2.558 -0.251 2.708 0.00 0.00 +0.007 A ATOM 6 C LIG 1 3.128 -0.806 1.550 0.00 0.00 -0.041 A ATOM 7 C LIG 1 2.494 -0.594 0.315 0.00 0.00 +0.020 A ENDROOT BRANCH 1 14 ATOM 8 C LIG 1 -4.701 0.549 -1.828 0.00 0.00 +0.200 A ATOM 9 N LIG 1 -3.401 0.297 -1.499 0.00 0.00 -0.306 N ATOM 10 C LIG 1 -2.844 -0.209 -0.266 0.00 0.00 +0.144 C ATOM 11 C LIG 1 -1.432 -0.742 -0.494 0.00 0.00 +0.130 C ATOM 12 N LIG 1 -0.632 0.203 -1.284 0.00 0.00 -0.288 N ATOM 13 C LIG 1 -1.159 0.536 -2.612 0.00 0.00 +0.184 C ATOM 14 C LIG 1 0.726 0.435 -1.081 0.00 0.00 +0.250 C ATOM 15 O LIG 1 1.472 0.857 -1.961 0.00 0.00 -0.270 OA ATOM 16 C LIG 1 -2.643 0.645 -2.588 0.00 0.00 +0.151 A ATOM 17 N LIG 1 -3.447 1.043 -3.551 0.00 0.00 -0.132 NA ATOM 18 N LIG 1 -4.738 0.983 -3.074 0.00 0.00 -0.126 NA BRANCH 8 24 ATOM 19 C LIG 1 -9.423 0.410 -0.015 0.00 0.00 +0.047 C ATOM 20 C LIG 1 -7.949 0.320 -0.145 0.00 0.00 -0.009 A ATOM 21 C LIG 1 -7.038 -0.049 0.824 0.00 0.00 +0.106 A ATOM 22 C LIG 1 -7.161 -0.460 2.238 0.00 0.00 +0.086 C ATOM 23 O LIG 1 -5.772 -0.009 0.326 0.00 0.00 -0.457 OA ATOM 24 C LIG 1 -5.842 0.389 -0.984 0.00 0.00 +0.172 A ATOM 25 C LIG 1 -7.172 0.601 -1.303 0.00 0.00 +0.056 A ENDBRANCH 8 24 ENDBRANCH 1 14 BRANCH 6 26 ATOM 26 C LIG 1 4.371 -1.663 1.665 0.00 0.00 +0.093 C BRANCH 26 27 ATOM 27 C LIG 1 5.365 -1.489 0.525 0.00 0.00 +0.074 A ATOM 28 C LIG 1 6.217 -0.274 0.458 0.00 0.00 +0.011 A ATOM 29 C LIG 1 7.103 -0.179 -0.614 0.00 0.00 +0.050 A ATOM 30 C LIG 1 7.940 0.935 -0.752 0.00 0.00 +0.014 A ATOM 31 C LIG 1 7.888 1.961 0.191 0.00 0.00 +0.001 A ATOM 32 C LIG 1 7.004 1.871 1.266 0.00 0.00 +0.001 A ATOM 33 C LIG 1 7.152 -1.266 -1.605 0.00 0.00 +0.272 A ATOM 34 O LIG 1 7.925 -1.231 -2.556 0.00 0.00 -0.266 OA ATOM 35 N LIG 1 6.290 -2.314 -1.395 0.00 0.00 -0.242 N ATOM 36 H LIG 1 6.308 -3.070 -2.073 0.00 0.00 +0.192 HD ATOM 37 C LIG 1 6.170 0.758 1.403 0.00 0.00 +0.010 A ATOM 38 N LIG 1 5.415 -2.440 -0.362 0.00 0.00 -0.175 NA ENDBRANCH 26 27 ENDBRANCH 6 26 TORSDOF 4