REMARK Name = BDB038753 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.947 -0.408 -0.851 0.00 0.00 -0.012 A ATOM 2 C LIG 1 -2.585 -0.174 -0.634 0.00 0.00 +0.052 A ATOM 3 C LIG 1 -1.750 -1.228 -0.289 0.00 0.00 +0.129 A ATOM 4 N LIG 1 -2.222 -2.488 -0.158 0.00 0.00 -0.236 NA ATOM 5 C LIG 1 -3.538 -2.741 -0.366 0.00 0.00 +0.047 A ATOM 6 C LIG 1 -4.411 -1.720 -0.726 0.00 0.00 +0.032 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -0.377 -1.045 -0.046 0.00 0.00 -0.248 N ATOM 8 C LIG 1 0.340 0.143 -0.057 0.00 0.00 +0.253 C ATOM 9 O LIG 1 -0.019 1.289 -0.255 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 1.733 -0.206 0.248 0.00 0.00 +0.045 A ATOM 11 C LIG 1 1.802 -1.580 0.439 0.00 0.00 +0.018 A ATOM 12 C LIG 1 3.009 -2.166 0.740 0.00 0.00 +0.129 A ATOM 13 C LIG 1 4.148 -1.368 0.849 0.00 0.00 +0.043 A ATOM 14 C LIG 1 4.077 0.031 0.649 0.00 0.00 -0.030 A ATOM 15 F LIG 1 3.092 -3.488 0.929 0.00 0.00 -0.205 F ATOM 16 C LIG 1 2.839 0.622 0.348 0.00 0.00 +0.018 A ATOM 17 C LIG 1 0.460 -2.196 0.268 0.00 0.00 +0.154 C BRANCH 14 18 ATOM 18 C LIG 1 5.325 0.883 0.778 0.00 0.00 +0.120 C BRANCH 18 19 ATOM 19 N LIG 1 6.397 0.444 -0.117 0.00 0.00 -0.293 NA ATOM 20 C LIG 1 7.678 1.111 0.115 0.00 0.00 +0.088 C ATOM 21 C LIG 1 7.657 2.280 -0.835 0.00 0.00 +0.035 C ATOM 22 C LIG 1 9.026 2.848 -0.599 0.00 0.00 +0.165 C ATOM 23 O LIG 1 9.204 2.741 0.841 0.00 0.00 -0.378 OA ATOM 24 C LIG 1 7.203 1.621 -2.104 0.00 0.00 +0.023 C ATOM 25 C LIG 1 8.213 1.804 1.354 0.00 0.00 +0.179 C ATOM 26 C LIG 1 6.099 0.691 -1.560 0.00 0.00 +0.085 C ENDBRANCH 18 19 ENDBRANCH 14 18 ENDBRANCH 3 7 BRANCH 1 28 ATOM 27 C LIG 1 -5.993 1.028 -0.401 0.00 0.00 +0.028 A ATOM 28 C LIG 1 -4.864 0.698 -1.190 0.00 0.00 -0.007 A ATOM 29 C LIG 1 -4.627 1.449 -2.358 0.00 0.00 +0.010 A ATOM 30 C LIG 1 -5.486 2.481 -2.747 0.00 0.00 +0.019 A ATOM 31 C LIG 1 -6.610 2.782 -1.978 0.00 0.00 +0.052 A ATOM 32 C LIG 1 -6.862 2.055 -0.812 0.00 0.00 +0.031 A BRANCH 27 35 ATOM 33 C LIG 1 -4.412 1.096 2.313 0.00 0.00 +0.152 C ATOM 34 N LIG 1 -5.601 0.347 2.007 0.00 0.00 -0.317 N ATOM 35 C LIG 1 -6.320 0.323 0.837 0.00 0.00 +0.164 A ATOM 36 N LIG 1 -7.378 -0.446 1.022 0.00 0.00 -0.129 NA ATOM 37 N LIG 1 -7.330 -0.955 2.298 0.00 0.00 -0.138 NA ATOM 38 C LIG 1 -6.258 -0.469 2.877 0.00 0.00 +0.225 A ENDBRANCH 27 35 BRANCH 31 39 ATOM 39 C LIG 1 -7.498 3.833 -2.380 0.00 0.00 +0.099 C ATOM 40 N LIG 1 -8.207 4.691 -2.706 0.00 0.00 -0.191 NA ENDBRANCH 31 39 ENDBRANCH 1 28 BRANCH 5 41 ATOM 41 C LIG 1 -4.033 -4.157 -0.203 0.00 0.00 +0.038 C ATOM 42 C LIG 1 -5.116 -4.474 0.805 0.00 0.00 +0.010 C ATOM 43 C LIG 1 -3.709 -4.924 1.060 0.00 0.00 +0.010 C ENDBRANCH 5 41 TORSDOF 7