REMARK Name = BDB058055 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.338 -0.030 -1.447 0.00 0.00 -0.021 A ATOM 2 C LIG 1 -1.357 0.543 -2.267 0.00 0.00 +0.009 A ATOM 3 C LIG 1 -0.224 1.149 -1.713 0.00 0.00 +0.013 A ATOM 4 C LIG 1 -0.043 1.174 -0.326 0.00 0.00 +0.037 A ATOM 5 C LIG 1 -1.017 0.606 0.501 0.00 0.00 +0.013 A ATOM 6 C LIG 1 -2.148 -0.002 -0.058 0.00 0.00 +0.009 A ENDROOT BRANCH 1 13 ATOM 7 C LIG 1 -7.345 -0.282 0.791 0.00 0.00 +0.079 A ATOM 8 C LIG 1 -6.501 -0.575 -0.265 0.00 0.00 +0.152 A ATOM 9 O LIG 1 -5.168 -0.253 -0.368 0.00 0.00 -0.451 OA ATOM 10 C LIG 1 -4.736 -0.757 -1.587 0.00 0.00 +0.176 C ATOM 11 C LIG 1 -5.859 -1.411 -2.308 0.00 0.00 +0.231 C ATOM 12 O LIG 1 -5.866 -1.947 -3.394 0.00 0.00 -0.283 OA ATOM 13 C LIG 1 -3.495 -0.674 -2.086 0.00 0.00 +0.058 C ATOM 14 C LIG 1 -6.977 -1.252 -1.386 0.00 0.00 +0.068 A ATOM 15 C LIG 1 -8.290 -1.661 -1.514 0.00 0.00 +0.015 A ATOM 16 C LIG 1 -9.153 -1.375 -0.455 0.00 0.00 +0.002 A ATOM 17 C LIG 1 -8.687 -0.695 0.689 0.00 0.00 +0.017 A BRANCH 7 21 ATOM 18 N LIG 1 -7.707 1.204 2.676 0.00 0.00 -0.325 N ATOM 19 H LIG 1 -8.570 1.532 2.266 0.00 0.00 +0.145 HD ATOM 20 H LIG 1 -7.310 1.759 3.425 0.00 0.00 +0.145 HD ATOM 21 C LIG 1 -6.829 0.404 1.997 0.00 0.00 +0.245 C ATOM 22 O LIG 1 -5.671 0.281 2.372 0.00 0.00 -0.270 OA ENDBRANCH 7 21 ENDBRANCH 1 13 BRANCH 4 23 ATOM 23 C LIG 1 1.181 1.831 0.215 0.00 0.00 +0.244 C ATOM 24 N LIG 1 1.624 1.394 1.446 0.00 0.00 -0.311 N ATOM 25 H LIG 1 1.186 0.594 1.883 0.00 0.00 +0.149 HD ATOM 26 O LIG 1 1.764 2.683 -0.445 0.00 0.00 -0.270 OA BRANCH 24 27 ATOM 27 C LIG 1 2.795 1.959 2.087 0.00 0.00 +0.105 C BRANCH 27 28 ATOM 28 C LIG 1 4.111 1.562 1.421 0.00 0.00 +0.026 C BRANCH 28 29 ATOM 29 C LIG 1 4.320 0.049 1.392 0.00 0.00 +0.076 C BRANCH 29 30 ATOM 30 C LIG 1 5.646 -0.307 0.813 0.00 0.00 +0.108 A ATOM 31 N LIG 1 5.920 -0.183 -0.528 0.00 0.00 -0.342 N ATOM 32 H LIG 1 5.282 0.161 -1.231 0.00 0.00 +0.167 HD ATOM 33 C LIG 1 7.212 -0.588 -0.742 0.00 0.00 +0.066 A ATOM 34 C LIG 1 7.669 -0.950 0.520 0.00 0.00 +0.089 A ATOM 35 C LIG 1 8.982 -1.421 0.663 0.00 0.00 +0.030 A ATOM 36 C LIG 1 9.793 -1.509 -0.476 0.00 0.00 +0.002 A ATOM 37 C LIG 1 9.306 -1.136 -1.731 0.00 0.00 +0.002 A ATOM 38 C LIG 1 7.998 -0.664 -1.894 0.00 0.00 +0.028 A ATOM 39 N LIG 1 6.690 -0.771 1.467 0.00 0.00 -0.232 NA ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 24 27 ENDBRANCH 4 23 TORSDOF 7