REMARK Name = BDB039541 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.793 -1.171 2.330 0.00 0.00 +0.010 C ATOM 2 C LIG 1 0.311 -0.808 1.329 0.00 0.00 +0.014 C ATOM 3 C LIG 1 -0.143 0.042 0.097 0.00 0.00 +0.038 C ATOM 4 C LIG 1 -1.549 -0.226 -0.361 0.00 0.00 +0.004 A ATOM 5 C LIG 1 -2.066 -1.311 -1.078 0.00 0.00 +0.008 A ATOM 6 C LIG 1 -3.440 -1.368 -1.333 0.00 0.00 +0.014 A ATOM 7 C LIG 1 -4.235 -0.336 -0.848 0.00 0.00 +0.045 A ATOM 8 C LIG 1 -5.687 -0.158 -0.955 0.00 0.00 +0.248 C ATOM 9 O LIG 1 -6.447 -0.963 -1.456 0.00 0.00 -0.270 OA ATOM 10 N LIG 1 -5.987 1.063 -0.366 0.00 0.00 -0.281 N ATOM 11 C LIG 1 -4.822 1.655 0.284 0.00 0.00 +0.148 C ATOM 12 C LIG 1 -3.728 0.742 -0.129 0.00 0.00 +0.024 A ATOM 13 C LIG 1 -2.382 0.790 0.101 0.00 0.00 +0.130 A ATOM 14 O LIG 1 -1.740 1.765 0.808 0.00 0.00 -0.490 OA ATOM 15 C LIG 1 -0.344 1.529 0.508 0.00 0.00 +0.241 C ATOM 16 C LIG 1 0.877 -0.079 -1.060 0.00 0.00 +0.030 C ATOM 17 C LIG 1 2.265 -0.459 -0.551 0.00 0.00 +0.086 C ATOM 18 N LIG 1 2.261 -1.790 0.074 0.00 0.00 -0.298 NA ATOM 19 C LIG 1 1.050 -2.073 0.863 0.00 0.00 +0.089 C ENDROOT BRANCH 10 20 ATOM 20 C LIG 1 -7.338 1.519 -0.059 0.00 0.00 +0.163 C ATOM 21 C LIG 1 -7.923 0.756 1.140 0.00 0.00 +0.240 C ATOM 22 O LIG 1 -7.242 0.315 2.064 0.00 0.00 -0.273 OA ATOM 23 N LIG 1 -9.297 0.688 1.198 0.00 0.00 -0.255 N ATOM 24 H LIG 1 -9.681 0.215 2.004 0.00 0.00 +0.158 HD ATOM 25 C LIG 1 -10.207 1.265 0.348 0.00 0.00 +0.219 C ATOM 26 O LIG 1 -11.409 1.232 0.593 0.00 0.00 -0.275 OA ATOM 27 C LIG 1 -9.648 2.011 -0.840 0.00 0.00 +0.098 C ATOM 28 C LIG 1 -8.292 1.458 -1.251 0.00 0.00 +0.041 C ENDBRANCH 10 20 BRANCH 18 29 ATOM 29 C LIG 1 3.486 -2.031 0.856 0.00 0.00 +0.119 C BRANCH 29 30 ATOM 30 C LIG 1 4.752 -2.009 0.025 0.00 0.00 -0.033 A ATOM 31 C LIG 1 5.774 -1.085 0.302 0.00 0.00 +0.013 A ATOM 32 C LIG 1 6.955 -1.063 -0.456 0.00 0.00 -0.015 A ATOM 33 C LIG 1 7.104 -1.986 -1.500 0.00 0.00 +0.008 A ATOM 34 C LIG 1 6.095 -2.909 -1.784 0.00 0.00 +0.001 A ATOM 35 C LIG 1 4.926 -2.920 -1.025 0.00 0.00 +0.005 A BRANCH 32 36 ATOM 36 C LIG 1 8.016 -0.112 -0.169 0.00 0.00 +0.020 A ATOM 37 C LIG 1 7.838 1.148 0.367 0.00 0.00 +0.116 A ATOM 38 N LIG 1 9.081 1.707 0.457 0.00 0.00 -0.274 N ATOM 39 C LIG 1 9.409 3.020 0.954 0.00 0.00 +0.172 C ATOM 40 N LIG 1 10.063 0.903 0.015 0.00 0.00 -0.179 NA ATOM 41 C LIG 1 9.414 -0.200 -0.366 0.00 0.00 +0.142 A ENDBRANCH 32 36 ENDBRANCH 29 30 ENDBRANCH 18 29 TORSDOF 4