REMARK Name = BDB036382 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.195 1.456 -1.631 0.00 0.00 -0.030 A ATOM 2 C LIG 1 -1.610 0.716 -2.730 0.00 0.00 -0.040 A ATOM 3 C LIG 1 -2.982 0.199 -3.043 0.00 0.00 +0.036 C ATOM 4 C LIG 1 -2.837 -0.160 -4.528 0.00 0.00 +0.009 C ATOM 5 C LIG 1 -1.368 -0.545 -4.742 0.00 0.00 +0.036 C ATOM 6 C LIG 1 -0.693 0.283 -3.693 0.00 0.00 -0.044 A ATOM 7 C LIG 1 0.664 0.558 -3.584 0.00 0.00 +0.008 A ATOM 8 C LIG 1 1.126 1.289 -2.483 0.00 0.00 -0.039 A ATOM 9 C LIG 1 0.175 1.756 -1.537 0.00 0.00 +0.009 A ENDROOT BRANCH 1 10 ATOM 10 C LIG 1 -2.151 1.877 -0.534 0.00 0.00 +0.120 C BRANCH 10 20 ATOM 11 C LIG 1 -1.803 -1.091 1.930 0.00 0.00 +0.187 C ATOM 12 O LIG 1 -2.904 -1.908 1.532 0.00 0.00 -0.486 OA ATOM 13 C LIG 1 -4.169 -1.411 1.659 0.00 0.00 +0.144 A ATOM 14 C LIG 1 -4.601 -0.081 1.594 0.00 0.00 +0.100 A ATOM 15 N LIG 1 -5.917 0.232 1.808 0.00 0.00 -0.255 NA ATOM 16 C LIG 1 -6.805 -0.763 2.015 0.00 0.00 +0.111 A ATOM 17 C LIG 1 -6.461 -2.096 2.041 0.00 0.00 +0.023 A ATOM 18 C LIG 1 -3.668 1.110 1.302 0.00 0.00 +0.106 C ATOM 19 C LIG 1 -4.510 2.357 0.930 0.00 0.00 +0.031 C ATOM 20 N LIG 1 -2.630 0.763 0.303 0.00 0.00 -0.286 NA ATOM 21 C LIG 1 -5.124 -2.416 1.860 0.00 0.00 +0.049 A ATOM 22 C LIG 1 -1.502 0.035 0.917 0.00 0.00 +0.130 C BRANCH 11 24 ATOM 23 C LIG 1 -1.794 -1.895 4.341 0.00 0.00 +0.007 C ATOM 24 C LIG 1 -1.829 -0.682 3.417 0.00 0.00 +0.042 C ENDBRANCH 11 24 ENDBRANCH 10 20 ENDBRANCH 1 10 BRANCH 8 25 ATOM 25 C LIG 1 2.605 1.606 -2.231 0.00 0.00 +0.060 C BRANCH 25 26 ATOM 26 C LIG 1 3.086 1.171 -0.834 0.00 0.00 -0.034 A ATOM 27 C LIG 1 3.870 2.018 -0.013 0.00 0.00 -0.017 A ATOM 28 C LIG 1 4.251 3.412 -0.433 0.00 0.00 +0.046 C ATOM 29 C LIG 1 4.261 1.518 1.250 0.00 0.00 +0.116 A ATOM 30 N LIG 1 5.002 2.131 2.226 0.00 0.00 -0.129 NA ATOM 31 N LIG 1 5.119 1.297 3.245 0.00 0.00 -0.065 NA ATOM 32 N LIG 1 4.455 0.171 2.925 0.00 0.00 -0.247 N ATOM 33 C LIG 1 4.397 -0.892 3.893 0.00 0.00 +0.175 C ATOM 34 C LIG 1 3.904 0.237 1.668 0.00 0.00 +0.092 A ATOM 35 C LIG 1 3.152 -0.641 0.872 0.00 0.00 -0.017 A ATOM 36 C LIG 1 2.750 -0.121 -0.373 0.00 0.00 +0.010 A BRANCH 35 37 ATOM 37 C LIG 1 2.793 -2.016 1.351 0.00 0.00 +0.021 C ATOM 38 C LIG 1 3.850 -3.092 1.438 0.00 0.00 +0.009 C ATOM 39 C LIG 1 2.792 -3.182 0.385 0.00 0.00 +0.009 C ENDBRANCH 35 37 ENDBRANCH 25 26 BRANCH 25 40 ATOM 40 C LIG 1 3.632 1.213 -3.312 0.00 0.00 +0.133 C BRANCH 40 41 ATOM 41 C LIG 1 3.970 -0.257 -3.407 0.00 0.00 +0.306 C ATOM 42 O LIG 1 3.441 -1.032 -4.190 0.00 0.00 -0.251 OA BRANCH 41 43 ATOM 43 O LIG 1 4.952 -0.656 -2.568 0.00 0.00 -0.481 OA ATOM 44 H LIG 1 5.260 0.033 -1.949 0.00 0.00 +0.295 HD ENDBRANCH 41 43 ENDBRANCH 40 41 ENDBRANCH 25 40 ENDBRANCH 8 25 TORSDOF 9