REMARK Name = BDB034356 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.210 -1.108 0.151 0.00 0.00 -0.041 A ATOM 2 C LIG 1 2.843 -0.823 1.475 0.00 0.00 +0.032 A ATOM 3 C LIG 1 1.727 -0.060 1.794 0.00 0.00 +0.073 A ATOM 4 C LIG 1 0.912 0.447 0.753 0.00 0.00 +0.021 A ATOM 5 C LIG 1 -0.245 1.200 1.117 0.00 0.00 +0.038 A ATOM 6 C LIG 1 -0.440 1.475 2.472 0.00 0.00 +0.043 A ATOM 7 C LIG 1 0.424 0.934 3.404 0.00 0.00 +0.113 A ATOM 8 C LIG 1 1.300 0.175 -0.583 0.00 0.00 +0.012 A ATOM 9 N LIG 1 1.480 0.162 3.092 0.00 0.00 -0.255 NA ATOM 10 C LIG 1 2.429 -0.591 -0.880 0.00 0.00 +0.005 A ENDROOT BRANCH 5 11 ATOM 11 N LIG 1 -1.080 1.749 0.130 0.00 0.00 -0.343 N ATOM 12 H LIG 1 -1.069 1.216 -0.736 0.00 0.00 +0.146 HD BRANCH 11 13 ATOM 13 C LIG 1 -2.434 2.225 0.413 0.00 0.00 +0.103 C BRANCH 13 14 ATOM 14 C LIG 1 -3.408 1.099 0.768 0.00 0.00 +0.034 C BRANCH 14 15 ATOM 15 C LIG 1 -3.527 -0.010 -0.283 0.00 0.00 +0.083 C BRANCH 15 16 ATOM 16 N LIG 1 -3.845 0.445 -1.639 0.00 0.00 -0.312 NA ATOM 17 H LIG 1 -3.751 -0.346 -2.276 0.00 0.00 +0.122 HD BRANCH 16 18 ATOM 18 C LIG 1 -5.202 0.988 -1.784 0.00 0.00 +0.120 C BRANCH 18 19 ATOM 19 C LIG 1 -6.285 -0.052 -1.701 0.00 0.00 +0.012 A ATOM 20 C LIG 1 -7.132 -0.148 -0.608 0.00 0.00 +0.171 A ATOM 21 O LIG 1 -7.116 0.653 0.494 0.00 0.00 -0.452 OA ATOM 22 C LIG 1 -8.188 0.080 1.270 0.00 0.00 +0.466 C ATOM 23 O LIG 1 -8.826 -1.040 0.628 0.00 0.00 -0.453 OA ATOM 24 C LIG 1 -8.113 -1.113 -0.528 0.00 0.00 +0.167 A ATOM 25 C LIG 1 -8.312 -2.038 -1.531 0.00 0.00 +0.049 A ATOM 26 C LIG 1 -7.481 -1.970 -2.650 0.00 0.00 +0.004 A ATOM 27 C LIG 1 -6.478 -0.987 -2.735 0.00 0.00 +0.009 A ENDBRANCH 18 19 ENDBRANCH 16 18 ENDBRANCH 15 16 ENDBRANCH 14 15 ENDBRANCH 13 14 ENDBRANCH 11 13 ENDBRANCH 5 11 BRANCH 1 28 ATOM 28 C LIG 1 4.440 -1.934 -0.145 0.00 0.00 +0.070 C BRANCH 28 32 ATOM 29 C LIG 1 8.598 -0.914 2.522 0.00 0.00 +0.044 C ATOM 30 C LIG 1 7.755 -0.699 1.300 0.00 0.00 -0.050 A ATOM 31 C LIG 1 6.547 -1.390 1.144 0.00 0.00 +0.007 A ATOM 32 C LIG 1 5.737 -1.178 0.019 0.00 0.00 -0.043 A ATOM 33 C LIG 1 6.143 -0.243 -0.944 0.00 0.00 +0.007 A ATOM 34 C LIG 1 7.331 0.481 -0.787 0.00 0.00 -0.050 A ATOM 35 C LIG 1 7.762 1.470 -1.829 0.00 0.00 +0.044 C ATOM 36 C LIG 1 8.136 0.239 0.333 0.00 0.00 +0.006 A ENDBRANCH 28 32 ENDBRANCH 1 28 TORSDOF 9