REMARK Name = BDB061411 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.603 -1.756 -0.774 0.00 0.00 -0.024 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.590 -2.066 0.732 0.00 0.00 -0.024 C BRANCH 2 3 ATOM 3 C LIG 1 -1.331 -1.946 2.247 0.00 0.00 -0.073 C BRANCH 3 4 ATOM 4 N LIG 1 -0.787 -1.577 3.569 0.00 0.00 +0.387 N ATOM 5 C LIG 1 -0.100 -2.749 4.152 0.00 0.00 -0.096 C ATOM 6 C LIG 1 -1.829 -1.151 4.505 0.00 0.00 -0.096 C BRANCH 4 7 ATOM 7 C LIG 1 0.191 -0.530 3.247 0.00 0.00 -0.071 C BRANCH 7 8 ATOM 8 C LIG 1 1.183 0.281 2.409 0.00 0.00 +0.001 C BRANCH 8 9 ATOM 9 C LIG 1 2.016 0.756 1.217 0.00 0.00 +0.113 C BRANCH 9 10 ATOM 10 N LIG 1 2.703 1.091 -0.030 0.00 0.00 -0.202 NA ATOM 11 C LIG 1 2.102 0.587 -1.105 0.00 0.00 +0.264 C ATOM 12 O LIG 1 1.075 -0.084 -1.206 0.00 0.00 -0.268 OA BRANCH 11 13 ATOM 13 C LIG 1 2.807 0.900 -2.318 0.00 0.00 +0.051 C ATOM 14 C LIG 1 3.472 1.166 -3.393 0.00 0.00 -0.039 C ATOM 15 C LIG 1 2.792 1.950 -4.536 0.00 0.00 +0.027 C BRANCH 14 16 ATOM 16 C LIG 1 4.628 0.405 -3.685 0.00 0.00 +0.027 C BRANCH 16 17 ATOM 17 C LIG 1 5.863 -0.457 -4.002 0.00 0.00 +0.030 C BRANCH 17 18 ATOM 18 C LIG 1 7.082 -1.347 -4.312 0.00 0.00 -0.034 C ATOM 19 C LIG 1 8.096 -2.111 -4.574 0.00 0.00 -0.048 C ATOM 20 C LIG 1 7.869 -3.528 -5.121 0.00 0.00 +0.026 C BRANCH 19 21 ATOM 21 C LIG 1 9.405 -1.677 -4.273 0.00 0.00 +0.026 C BRANCH 21 22 ATOM 22 C LIG 1 10.838 -1.224 -3.937 0.00 0.00 +0.030 C BRANCH 22 23 ATOM 23 C LIG 1 12.277 -0.783 -3.600 0.00 0.00 -0.034 C ATOM 24 C LIG 1 13.488 -0.417 -3.316 0.00 0.00 -0.048 C ATOM 25 C LIG 1 14.514 -1.449 -2.832 0.00 0.00 +0.026 C BRANCH 24 26 ATOM 26 C LIG 1 13.892 0.918 -3.547 0.00 0.00 +0.026 C BRANCH 26 27 ATOM 27 C LIG 1 14.338 2.371 -3.811 0.00 0.00 +0.030 C BRANCH 27 28 ATOM 28 C LIG 1 14.770 3.828 -4.072 0.00 0.00 -0.034 C ATOM 29 C LIG 1 15.123 5.056 -4.292 0.00 0.00 -0.048 C ATOM 30 C LIG 1 16.398 5.356 -5.092 0.00 0.00 +0.026 C ATOM 31 C LIG 1 14.214 6.204 -3.830 0.00 0.00 +0.026 C ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 19 21 ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 14 16 ENDBRANCH 11 13 ENDBRANCH 9 10 ENDBRANCH 8 9 ENDBRANCH 7 8 ENDBRANCH 4 7 ENDBRANCH 3 4 ENDBRANCH 2 3 ENDBRANCH 1 2 BRANCH 1 32 ATOM 32 C LIG 1 -1.498 -0.993 -2.110 0.00 0.00 -0.073 C BRANCH 32 33 ATOM 33 N LIG 1 -1.441 0.066 -3.138 0.00 0.00 +0.387 N ATOM 34 C LIG 1 -0.280 -0.069 -4.021 0.00 0.00 -0.096 C ATOM 35 C LIG 1 -2.664 0.001 -3.966 0.00 0.00 -0.096 C BRANCH 33 36 ATOM 36 C LIG 1 -1.453 1.303 -2.346 0.00 0.00 -0.071 C BRANCH 36 37 ATOM 37 C LIG 1 -1.752 2.227 -1.162 0.00 0.00 +0.001 C BRANCH 37 38 ATOM 38 C LIG 1 -2.215 2.701 0.218 0.00 0.00 +0.113 C BRANCH 38 40 ATOM 39 C LIG 1 -2.696 1.897 2.355 0.00 0.00 +0.264 C ATOM 40 N LIG 1 -2.675 2.976 1.578 0.00 0.00 -0.202 NA ATOM 41 O LIG 1 -2.429 0.721 2.103 0.00 0.00 -0.268 OA BRANCH 39 43 ATOM 42 C LIG 1 -3.510 2.470 4.900 0.00 0.00 -0.039 C ATOM 43 C LIG 1 -3.104 2.208 3.700 0.00 0.00 +0.051 C ATOM 44 C LIG 1 -2.577 2.123 6.084 0.00 0.00 +0.027 C BRANCH 42 45 ATOM 45 C LIG 1 -4.906 2.488 5.140 0.00 0.00 +0.027 C BRANCH 45 46 ATOM 46 C LIG 1 -6.426 2.426 5.385 0.00 0.00 +0.030 C BRANCH 46 48 ATOM 47 C LIG 1 -9.213 2.079 5.776 0.00 0.00 -0.048 C ATOM 48 C LIG 1 -7.943 2.270 5.606 0.00 0.00 -0.034 C ATOM 49 C LIG 1 -10.143 3.245 6.142 0.00 0.00 +0.026 C BRANCH 47 50 ATOM 50 C LIG 1 -9.754 0.794 5.540 0.00 0.00 +0.026 C BRANCH 50 51 ATOM 51 C LIG 1 -10.293 -0.624 5.268 0.00 0.00 +0.030 C BRANCH 51 53 ATOM 52 C LIG 1 -11.157 -3.267 4.710 0.00 0.00 -0.048 C ATOM 53 C LIG 1 -10.777 -2.057 4.971 0.00 0.00 -0.034 C ATOM 54 C LIG 1 -10.948 -4.376 5.753 0.00 0.00 +0.026 C BRANCH 52 55 ATOM 55 C LIG 1 -11.551 -3.613 3.397 0.00 0.00 +0.026 C BRANCH 55 56 ATOM 56 C LIG 1 -11.961 -4.015 1.965 0.00 0.00 +0.030 C BRANCH 56 59 ATOM 57 C LIG 1 -12.232 -6.118 -1.232 0.00 0.00 +0.026 C ATOM 58 C LIG 1 -12.687 -4.761 -0.676 0.00 0.00 -0.048 C ATOM 59 C LIG 1 -12.356 -4.419 0.530 0.00 0.00 -0.034 C ATOM 60 C LIG 1 -13.252 -3.701 -1.633 0.00 0.00 +0.026 C ENDBRANCH 56 59 ENDBRANCH 55 56 ENDBRANCH 52 55 ENDBRANCH 51 53 ENDBRANCH 50 51 ENDBRANCH 47 50 ENDBRANCH 46 48 ENDBRANCH 45 46 ENDBRANCH 42 45 ENDBRANCH 39 43 ENDBRANCH 38 40 ENDBRANCH 37 38 ENDBRANCH 36 37 ENDBRANCH 33 36 ENDBRANCH 32 33 ENDBRANCH 1 32 TORSDOF 33