REMARK Name = BDB016755 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.193 2.572 0.593 0.00 0.00 +0.093 A ATOM 2 C LIG 1 -2.288 2.102 -0.199 0.00 0.00 +0.027 A ATOM 3 C LIG 1 -3.225 3.126 -0.153 0.00 0.00 +0.067 A ATOM 4 C LIG 1 -4.463 3.068 -0.807 0.00 0.00 +0.031 A ATOM 5 C LIG 1 -4.795 1.906 -1.526 0.00 0.00 -0.041 A ATOM 6 C LIG 1 -3.848 0.870 -1.588 0.00 0.00 +0.005 A ATOM 7 N LIG 1 -2.661 4.096 0.626 0.00 0.00 -0.276 N ATOM 8 H LIG 1 -3.057 4.995 0.875 0.00 0.00 +0.189 HD ATOM 9 C LIG 1 -2.610 0.944 -0.931 0.00 0.00 +0.012 A ATOM 10 N LIG 1 -1.458 3.776 1.121 0.00 0.00 -0.173 NA ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 -6.127 1.773 -2.232 0.00 0.00 +0.040 C ATOM 12 C LIG 1 -7.152 0.732 -1.824 0.00 0.00 +0.081 C ATOM 13 C LIG 1 -6.989 -0.273 -0.717 0.00 0.00 -0.007 A ATOM 14 C LIG 1 -7.602 -1.465 -1.131 0.00 0.00 +0.038 A ATOM 15 C LIG 1 -7.642 -2.604 -0.358 0.00 0.00 +0.027 A ATOM 16 C LIG 1 -7.027 -2.542 0.893 0.00 0.00 +0.047 A ATOM 17 C LIG 1 -6.398 -1.363 1.342 0.00 0.00 +0.120 A ATOM 18 N LIG 1 -8.146 -1.293 -2.406 0.00 0.00 -0.284 N ATOM 19 H LIG 1 -8.650 -1.992 -2.928 0.00 0.00 +0.155 HD ATOM 20 C LIG 1 -6.394 -0.218 0.537 0.00 0.00 +0.052 A ATOM 21 C LIG 1 -7.929 -0.013 -2.885 0.00 0.00 +0.228 C ATOM 22 O LIG 1 -8.284 0.451 -3.955 0.00 0.00 -0.274 OA ATOM 23 C LIG 1 -7.413 2.184 -1.542 0.00 0.00 +0.031 C BRANCH 17 24 ATOM 24 O LIG 1 -5.831 -1.463 2.585 0.00 0.00 -0.495 OA ATOM 25 C LIG 1 -5.006 -0.379 2.998 0.00 0.00 +0.277 C ENDBRANCH 17 24 ENDBRANCH 5 11 BRANCH 1 27 ATOM 26 C LIG 1 0.696 1.051 0.064 0.00 0.00 +0.010 C ATOM 27 C LIG 1 0.043 1.902 0.874 0.00 0.00 +0.031 C BRANCH 26 31 ATOM 28 C LIG 1 4.447 -0.885 0.980 0.00 0.00 +0.030 A ATOM 29 C LIG 1 4.211 0.442 1.360 0.00 0.00 +0.024 A ATOM 30 C LIG 1 2.997 1.083 1.074 0.00 0.00 +0.010 A ATOM 31 C LIG 1 1.971 0.408 0.408 0.00 0.00 -0.025 A ATOM 32 C LIG 1 2.195 -0.910 0.010 0.00 0.00 +0.010 A ATOM 33 C LIG 1 3.411 -1.543 0.298 0.00 0.00 +0.024 A BRANCH 28 37 ATOM 34 N LIG 1 8.630 -1.309 0.863 0.00 0.00 -0.300 NA ATOM 35 C LIG 1 7.791 -0.404 1.690 0.00 0.00 +0.103 C ATOM 36 C LIG 1 6.556 -1.097 2.301 0.00 0.00 +0.120 C ATOM 37 N LIG 1 5.642 -1.567 1.239 0.00 0.00 -0.327 N ATOM 38 C LIG 1 6.326 -2.047 0.012 0.00 0.00 +0.120 C ATOM 39 C LIG 1 7.811 -2.396 0.276 0.00 0.00 +0.103 C BRANCH 34 41 ATOM 40 C LIG 1 10.567 -1.311 -0.695 0.00 0.00 +0.020 C ATOM 41 C LIG 1 9.378 -0.537 -0.136 0.00 0.00 +0.081 C ENDBRANCH 34 41 ENDBRANCH 28 37 ENDBRANCH 26 31 ENDBRANCH 1 27 TORSDOF 6