REMARK Name = BDB043130 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.630 0.288 1.739 0.00 0.00 +0.092 C ENDROOT BRANCH 1 2 ATOM 2 N LIG 1 -1.902 -0.991 1.606 0.00 0.00 -0.339 N ATOM 3 H LIG 1 -1.136 -0.900 0.923 0.00 0.00 +0.146 HD BRANCH 2 4 ATOM 4 C LIG 1 -2.565 -2.206 1.364 0.00 0.00 +0.038 A ATOM 5 C LIG 1 -1.852 -3.300 0.817 0.00 0.00 +0.043 A ATOM 6 C LIG 1 -2.465 -4.544 0.604 0.00 0.00 +0.013 A ATOM 7 C LIG 1 -3.788 -4.736 0.984 0.00 0.00 +0.001 A ATOM 8 C LIG 1 -4.492 -3.691 1.578 0.00 0.00 +0.002 A ATOM 9 C LIG 1 -3.883 -2.445 1.776 0.00 0.00 +0.023 A BRANCH 5 10 ATOM 10 C LIG 1 -0.439 -3.118 0.402 0.00 0.00 +0.195 C ATOM 11 O LIG 1 -0.151 -2.145 -0.294 0.00 0.00 -0.287 OA BRANCH 10 12 ATOM 12 C LIG 1 0.628 -4.060 0.835 0.00 0.00 +0.022 A ATOM 13 C LIG 1 1.809 -4.121 0.083 0.00 0.00 +0.012 A ATOM 14 C LIG 1 2.843 -4.975 0.467 0.00 0.00 +0.001 A ATOM 15 C LIG 1 2.706 -5.763 1.608 0.00 0.00 +0.000 A ATOM 16 C LIG 1 1.540 -5.694 2.370 0.00 0.00 +0.001 A ATOM 17 C LIG 1 0.502 -4.841 1.990 0.00 0.00 +0.012 A ENDBRANCH 10 12 ENDBRANCH 5 10 ENDBRANCH 2 4 ENDBRANCH 1 2 BRANCH 1 18 ATOM 18 C LIG 1 -3.244 0.707 0.377 0.00 0.00 +0.127 C BRANCH 18 20 ATOM 19 C LIG 1 -5.064 2.229 1.077 0.00 0.00 +0.244 C ATOM 20 N LIG 1 -3.903 2.002 0.370 0.00 0.00 -0.310 N ATOM 21 H LIG 1 -3.406 2.772 -0.051 0.00 0.00 +0.149 HD ATOM 22 O LIG 1 -5.613 1.373 1.762 0.00 0.00 -0.270 OA BRANCH 19 26 ATOM 23 C LIG 1 -6.671 6.214 0.978 0.00 0.00 +0.120 A ATOM 24 C LIG 1 -5.955 5.732 -0.119 0.00 0.00 +0.046 A ATOM 25 C LIG 1 -5.429 4.434 -0.103 0.00 0.00 +0.016 A ATOM 26 C LIG 1 -5.611 3.612 1.016 0.00 0.00 +0.037 A ATOM 27 C LIG 1 -6.341 4.089 2.108 0.00 0.00 +0.016 A ATOM 28 C LIG 1 -6.861 5.386 2.088 0.00 0.00 +0.046 A BRANCH 23 30 ATOM 29 C LIG 1 -7.154 8.306 -0.048 0.00 0.00 +0.277 C ATOM 30 O LIG 1 -7.232 7.457 1.090 0.00 0.00 -0.495 OA ENDBRANCH 23 30 ENDBRANCH 19 26 ENDBRANCH 18 20 ENDBRANCH 1 18 BRANCH 1 31 ATOM 31 C LIG 1 -1.674 1.360 2.338 0.00 0.00 +0.059 C BRANCH 31 32 ATOM 32 C LIG 1 -0.531 1.814 1.454 0.00 0.00 -0.045 A ATOM 33 C LIG 1 -0.582 3.044 0.788 0.00 0.00 +0.007 A ATOM 34 C LIG 1 0.451 3.425 -0.074 0.00 0.00 +0.046 A ATOM 35 C LIG 1 1.553 2.593 -0.281 0.00 0.00 +0.121 A ATOM 36 C LIG 1 1.629 1.388 0.413 0.00 0.00 +0.046 A ATOM 37 C LIG 1 0.601 1.008 1.281 0.00 0.00 +0.007 A BRANCH 35 38 ATOM 38 O LIG 1 2.468 3.069 -1.181 0.00 0.00 -0.492 OA BRANCH 38 39 ATOM 39 C LIG 1 3.592 2.240 -1.496 0.00 0.00 +0.235 C BRANCH 39 40 ATOM 40 C LIG 1 3.228 1.183 -2.539 0.00 0.00 +0.100 C BRANCH 40 41 ATOM 41 C LIG 1 4.330 0.213 -2.758 0.00 0.00 +0.086 A ATOM 42 C LIG 1 5.123 0.004 -3.865 0.00 0.00 +0.126 A ATOM 43 C LIG 1 5.221 0.612 -5.202 0.00 0.00 +0.088 C ATOM 44 O LIG 1 5.975 -1.028 -3.582 0.00 0.00 -0.440 OA ATOM 45 C LIG 1 5.656 -1.394 -2.300 0.00 0.00 +0.228 A ATOM 46 N LIG 1 4.686 -0.675 -1.767 0.00 0.00 -0.214 NA BRANCH 45 47 ATOM 47 C LIG 1 6.419 -2.493 -1.711 0.00 0.00 +0.037 A ATOM 48 C LIG 1 6.187 -2.858 -0.376 0.00 0.00 +0.013 A ATOM 49 C LIG 1 6.904 -3.902 0.218 0.00 0.00 +0.001 A ATOM 50 C LIG 1 7.862 -4.594 -0.517 0.00 0.00 +0.000 A ATOM 51 C LIG 1 8.102 -4.247 -1.845 0.00 0.00 +0.001 A ATOM 52 C LIG 1 7.386 -3.202 -2.438 0.00 0.00 +0.013 A ENDBRANCH 45 47 ENDBRANCH 40 41 ENDBRANCH 39 40 ENDBRANCH 38 39 ENDBRANCH 35 38 ENDBRANCH 31 32 ENDBRANCH 1 31 TORSDOF 15