REMARK Name = BDB014019 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.606 -0.865 0.335 0.00 0.00 +0.160 C ATOM 2 C LIG 1 -2.762 -0.784 -0.966 0.00 0.00 +0.240 C ATOM 3 O LIG 1 -3.116 -0.054 -1.900 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 -1.550 -1.489 -0.989 0.00 0.00 -0.265 N ATOM 5 C LIG 1 -1.427 -2.856 -0.525 0.00 0.00 +0.040 A ATOM 6 C LIG 1 -2.545 -3.689 -0.289 0.00 0.00 -0.026 A ATOM 7 C LIG 1 -2.361 -5.029 0.129 0.00 0.00 +0.005 A ATOM 8 C LIG 1 -1.089 -5.567 0.316 0.00 0.00 +0.000 A ATOM 9 C LIG 1 0.015 -4.769 0.084 0.00 0.00 +0.002 A ATOM 10 C LIG 1 -3.970 -3.240 -0.477 0.00 0.00 +0.039 C ATOM 11 C LIG 1 -0.159 -3.438 -0.334 0.00 0.00 +0.024 A ATOM 12 C LIG 1 -4.324 -2.188 0.553 0.00 0.00 +0.036 C ENDROOT BRANCH 1 14 ATOM 13 C LIG 1 -4.275 1.512 0.601 0.00 0.00 +0.230 C ATOM 14 N LIG 1 -4.600 0.207 0.289 0.00 0.00 -0.303 N ATOM 15 H LIG 1 -5.348 0.140 -0.400 0.00 0.00 +0.149 HD ATOM 16 O LIG 1 -3.267 1.825 1.222 0.00 0.00 -0.274 OA BRANCH 13 17 ATOM 17 C LIG 1 -5.253 2.543 -0.009 0.00 0.00 +0.137 C ATOM 18 C LIG 1 -5.157 3.914 0.660 0.00 0.00 +0.034 C BRANCH 17 20 ATOM 19 C LIG 1 -7.297 1.832 1.169 0.00 0.00 +0.101 C ATOM 20 N LIG 1 -6.636 2.004 -0.117 0.00 0.00 -0.309 NA ATOM 21 H LIG 1 -7.181 2.666 -0.674 0.00 0.00 +0.122 HD ENDBRANCH 17 20 ENDBRANCH 13 17 ENDBRANCH 1 14 BRANCH 4 22 ATOM 22 C LIG 1 -0.523 -0.929 -1.896 0.00 0.00 +0.149 C BRANCH 22 23 ATOM 23 C LIG 1 0.836 -0.581 -1.294 0.00 0.00 -0.022 A ATOM 24 C LIG 1 1.020 0.235 -0.145 0.00 0.00 -0.013 A ATOM 25 C LIG 1 2.320 0.363 0.432 0.00 0.00 -0.013 A ATOM 26 C LIG 1 2.454 1.145 1.606 0.00 0.00 +0.009 A ATOM 27 C LIG 1 1.375 1.807 2.189 0.00 0.00 +0.001 A ATOM 28 C LIG 1 0.128 1.715 1.606 0.00 0.00 +0.001 A ATOM 29 C LIG 1 3.425 -0.283 -0.190 0.00 0.00 -0.026 A ATOM 30 C LIG 1 3.233 -0.973 -1.398 0.00 0.00 +0.006 A ATOM 31 C LIG 1 -0.041 0.945 0.456 0.00 0.00 +0.009 A ATOM 32 C LIG 1 1.965 -1.113 -1.941 0.00 0.00 +0.006 A BRANCH 29 33 ATOM 33 C LIG 1 4.838 -0.276 0.378 0.00 0.00 +0.120 C BRANCH 33 34 ATOM 34 N LIG 1 5.766 0.615 -0.336 0.00 0.00 -0.296 NA ATOM 35 C LIG 1 7.157 0.344 0.080 0.00 0.00 +0.100 C ATOM 36 C LIG 1 8.172 1.299 -0.586 0.00 0.00 +0.096 C ATOM 37 N LIG 1 7.865 2.720 -0.344 0.00 0.00 -0.314 NA ATOM 38 H LIG 1 7.920 2.893 0.660 0.00 0.00 +0.122 HD ATOM 39 C LIG 1 6.481 2.983 -0.779 0.00 0.00 +0.096 C ATOM 40 C LIG 1 5.447 2.041 -0.118 0.00 0.00 +0.100 C ENDBRANCH 33 34 ENDBRANCH 29 33 ENDBRANCH 22 23 ENDBRANCH 4 22 TORSDOF 7