REMARK Name = BDB057610 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.419 -1.935 1.148 0.00 0.00 +0.043 A ATOM 2 C LIG 1 -1.715 -1.369 0.968 0.00 0.00 +0.048 A ATOM 3 C LIG 1 -1.898 -0.082 0.236 0.00 0.00 +0.194 C ATOM 4 C LIG 1 -3.272 0.382 -0.070 0.00 0.00 +0.040 C ATOM 5 C LIG 1 -3.358 1.657 -0.878 0.00 0.00 +0.182 C ATOM 6 C LIG 1 -4.776 2.294 -0.901 0.00 0.00 +0.122 C ATOM 7 C LIG 1 -4.887 3.374 -1.986 0.00 0.00 +0.047 C ATOM 8 C LIG 1 -5.837 1.198 -1.085 0.00 0.00 +0.182 C ATOM 9 C LIG 1 -5.754 0.152 0.048 0.00 0.00 +0.180 C ATOM 10 C LIG 1 -4.347 -0.284 0.366 0.00 0.00 +0.040 C ATOM 11 C LIG 1 -4.206 -1.468 1.244 0.00 0.00 +0.196 C ATOM 12 O LIG 1 -5.228 -1.966 1.708 0.00 0.00 -0.287 OA ATOM 13 O LIG 1 -0.959 0.612 -0.139 0.00 0.00 -0.287 OA ATOM 14 C LIG 1 -2.845 -2.010 1.501 0.00 0.00 +0.075 A ATOM 15 C LIG 1 -2.675 -3.180 2.262 0.00 0.00 +0.132 A ATOM 16 C LIG 1 -1.410 -3.718 2.486 0.00 0.00 +0.092 A ATOM 17 C LIG 1 -0.289 -3.114 1.921 0.00 0.00 +0.132 A ENDROOT BRANCH 1 19 ATOM 18 C LIG 1 0.999 -1.520 -0.887 0.00 0.00 +0.132 A ATOM 19 C LIG 1 0.797 -1.371 0.504 0.00 0.00 +0.070 A ATOM 20 C LIG 1 1.758 -0.655 1.257 0.00 0.00 +0.140 A ATOM 21 C LIG 1 2.874 -0.063 0.649 0.00 0.00 +0.075 A ATOM 22 C LIG 1 3.921 0.649 1.430 0.00 0.00 +0.198 C ATOM 23 C LIG 1 4.953 1.423 0.709 0.00 0.00 +0.037 A ATOM 24 C LIG 1 5.070 1.328 -0.672 0.00 0.00 +0.034 A ATOM 25 C LIG 1 4.154 0.460 -1.432 0.00 0.00 +0.195 C ATOM 26 O LIG 1 4.321 0.288 -2.634 0.00 0.00 -0.287 OA ATOM 27 C LIG 1 6.066 2.049 -1.347 0.00 0.00 +0.019 A ATOM 28 C LIG 1 6.956 2.877 -0.643 0.00 0.00 -0.008 A ATOM 29 C LIG 1 8.008 3.637 -1.398 0.00 0.00 +0.047 C ATOM 30 C LIG 1 6.823 2.959 0.748 0.00 0.00 +0.120 A ATOM 31 C LIG 1 5.837 2.240 1.422 0.00 0.00 +0.058 A ATOM 32 O LIG 1 3.986 0.587 2.651 0.00 0.00 -0.286 OA ATOM 33 C LIG 1 3.024 -0.187 -0.733 0.00 0.00 +0.040 A ATOM 34 C LIG 1 2.106 -0.926 -1.495 0.00 0.00 +0.059 A BRANCH 18 36 ATOM 35 C LIG 1 0.085 -2.225 -2.980 0.00 0.00 +0.277 C ATOM 36 O LIG 1 0.054 -2.260 -1.558 0.00 0.00 -0.494 OA ENDBRANCH 18 36 BRANCH 20 37 ATOM 37 O LIG 1 1.565 -0.523 2.608 0.00 0.00 -0.505 OA ATOM 38 H LIG 1 1.425 -1.418 2.966 0.00 0.00 +0.292 HD ENDBRANCH 20 37 BRANCH 30 39 ATOM 39 O LIG 1 7.637 3.733 1.524 0.00 0.00 -0.506 OA ATOM 40 H LIG 1 8.280 4.199 0.969 0.00 0.00 +0.292 HD ENDBRANCH 30 39 ENDBRANCH 1 19 BRANCH 5 41 ATOM 41 O LIG 1 -2.926 1.334 -2.203 0.00 0.00 -0.384 OA ATOM 42 H LIG 1 -1.954 1.234 -2.136 0.00 0.00 +0.210 HD ENDBRANCH 5 41 BRANCH 6 43 ATOM 43 O LIG 1 -5.023 2.951 0.361 0.00 0.00 -0.383 OA ATOM 44 H LIG 1 -5.960 3.233 0.323 0.00 0.00 +0.210 HD ENDBRANCH 6 43 BRANCH 8 45 ATOM 45 O LIG 1 -7.154 1.787 -1.058 0.00 0.00 -0.386 OA ATOM 46 H LIG 1 -7.769 1.027 -1.113 0.00 0.00 +0.210 HD ENDBRANCH 8 45 BRANCH 9 47 ATOM 47 O LIG 1 -6.564 -0.958 -0.366 0.00 0.00 -0.384 OA ATOM 48 H LIG 1 -6.531 -1.598 0.379 0.00 0.00 +0.210 HD ENDBRANCH 9 47 BRANCH 15 49 ATOM 49 O LIG 1 -3.749 -3.822 2.813 0.00 0.00 -0.506 OA ATOM 50 H LIG 1 -3.474 -4.594 3.332 0.00 0.00 +0.292 HD ENDBRANCH 15 49 BRANCH 17 51 ATOM 51 O LIG 1 0.991 -3.574 2.127 0.00 0.00 -0.494 OA ATOM 52 C LIG 1 1.135 -4.971 2.362 0.00 0.00 +0.277 C ENDBRANCH 17 51 TORSDOF 10