REMARK Name = BDB010254 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.541 1.329 -1.841 0.00 0.00 +0.052 A ATOM 2 C LIG 1 0.265 0.022 -1.703 0.00 0.00 +0.043 A ATOM 3 C LIG 1 1.338 -0.839 -1.127 0.00 0.00 +0.265 A ATOM 4 O LIG 1 1.028 -1.992 -0.817 0.00 0.00 -0.267 OA ATOM 5 N LIG 1 2.572 -0.243 -0.910 0.00 0.00 -0.232 N ATOM 6 C LIG 1 2.732 1.103 -1.122 0.00 0.00 +0.122 A ATOM 7 N LIG 1 1.764 1.861 -1.545 0.00 0.00 -0.237 NA ENDROOT BRANCH 5 8 ATOM 8 C LIG 1 3.577 -1.086 -0.380 0.00 0.00 +0.239 A ATOM 9 N LIG 1 4.359 -0.636 0.611 0.00 0.00 -0.216 NA ATOM 10 C LIG 1 5.280 -1.489 1.119 0.00 0.00 +0.161 A ATOM 11 C LIG 1 5.475 -2.777 0.680 0.00 0.00 +0.157 A ATOM 12 C LIG 1 4.640 -3.145 -0.345 0.00 0.00 +0.161 A ATOM 13 N LIG 1 3.707 -2.329 -0.886 0.00 0.00 -0.216 NA BRANCH 11 14 ATOM 14 O LIG 1 6.439 -3.513 1.288 0.00 0.00 -0.489 OA BRANCH 14 15 ATOM 15 C LIG 1 6.615 -4.850 0.819 0.00 0.00 +0.226 C ATOM 16 C LIG 1 7.731 -5.488 1.625 0.00 0.00 +0.048 C ENDBRANCH 14 15 ENDBRANCH 11 14 ENDBRANCH 5 8 BRANCH 6 17 ATOM 17 C LIG 1 4.066 1.871 -0.965 0.00 0.00 +0.050 C ATOM 18 C LIG 1 5.231 1.294 -1.765 0.00 0.00 +0.015 C ATOM 19 C LIG 1 4.415 2.244 0.474 0.00 0.00 +0.015 C ENDBRANCH 6 17 BRANCH 1 20 ATOM 20 C LIG 1 -0.452 2.349 -2.380 0.00 0.00 +0.056 C BRANCH 20 21 ATOM 21 C LIG 1 -0.537 3.652 -1.565 0.00 0.00 +0.006 C BRANCH 21 23 ATOM 22 C LIG 1 -2.515 3.194 -0.032 0.00 0.00 +0.004 C ATOM 23 C LIG 1 -1.026 3.484 -0.124 0.00 0.00 -0.003 C ENDBRANCH 21 23 ENDBRANCH 20 21 ENDBRANCH 1 20 BRANCH 2 24 ATOM 24 C LIG 1 -1.006 -0.679 -2.116 0.00 0.00 +0.079 C BRANCH 24 25 ATOM 25 C LIG 1 -2.139 -0.635 -1.118 0.00 0.00 -0.025 A ATOM 26 C LIG 1 -3.453 -0.535 -1.564 0.00 0.00 +0.115 A ATOM 27 N LIG 1 -4.546 -0.503 -0.758 0.00 0.00 -0.255 NA ATOM 28 C LIG 1 -4.334 -0.625 0.578 0.00 0.00 +0.072 A ATOM 29 C LIG 1 -3.055 -0.750 1.113 0.00 0.00 +0.028 A ATOM 30 C LIG 1 -1.954 -0.762 0.258 0.00 0.00 +0.007 A BRANCH 28 31 ATOM 31 C LIG 1 -5.535 -0.662 1.434 0.00 0.00 +0.011 A ATOM 32 C LIG 1 -6.460 0.404 1.553 0.00 0.00 +0.030 A ATOM 33 C LIG 1 -7.530 0.283 2.465 0.00 0.00 +0.012 A ATOM 34 C LIG 1 -7.713 -0.870 3.227 0.00 0.00 +0.001 A ATOM 35 C LIG 1 -6.826 -1.928 3.096 0.00 0.00 +0.001 A ATOM 36 C LIG 1 -5.750 -1.823 2.213 0.00 0.00 +0.011 A BRANCH 32 37 ATOM 37 C LIG 1 -6.386 1.655 0.797 0.00 0.00 +0.180 A ATOM 38 N LIG 1 -5.939 1.780 -0.489 0.00 0.00 -0.239 N ATOM 39 H LIG 1 -5.556 1.061 -1.093 0.00 0.00 +0.192 HD ATOM 40 N LIG 1 -6.053 3.045 -0.912 0.00 0.00 -0.046 NA ATOM 41 N LIG 1 -6.579 3.698 0.113 0.00 0.00 -0.023 NA ATOM 42 N LIG 1 -6.802 2.852 1.174 0.00 0.00 -0.108 NA ENDBRANCH 32 37 ENDBRANCH 28 31 ENDBRANCH 24 25 ENDBRANCH 2 24 TORSDOF 11