REMARK Name = BDB013988 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.175 -0.210 -0.362 0.00 0.00 +0.160 C ATOM 2 C LIG 1 1.267 0.897 0.218 0.00 0.00 +0.240 C ATOM 3 O LIG 1 1.659 1.556 1.190 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 0.050 1.141 -0.422 0.00 0.00 -0.265 N ATOM 5 C LIG 1 -0.420 0.355 -1.517 0.00 0.00 +0.040 A ATOM 6 C LIG 1 -0.364 -1.052 -1.472 0.00 0.00 -0.026 A ATOM 7 C LIG 1 -0.820 -1.798 -2.569 0.00 0.00 +0.005 A ATOM 8 C LIG 1 -1.329 -1.160 -3.699 0.00 0.00 +0.000 A ATOM 9 C LIG 1 -1.388 0.229 -3.745 0.00 0.00 +0.002 A ATOM 10 C LIG 1 0.134 -1.763 -0.242 0.00 0.00 +0.039 C ATOM 11 C LIG 1 -0.936 0.983 -2.660 0.00 0.00 +0.024 A ATOM 12 C LIG 1 1.640 -1.614 -0.066 0.00 0.00 +0.036 C ENDROOT BRANCH 1 14 ATOM 13 C LIG 1 4.645 -0.537 -0.369 0.00 0.00 +0.230 C ATOM 14 N LIG 1 3.509 -0.036 0.218 0.00 0.00 -0.303 N ATOM 15 H LIG 1 3.563 0.582 1.021 0.00 0.00 +0.149 HD ATOM 16 O LIG 1 4.601 -1.254 -1.369 0.00 0.00 -0.274 OA BRANCH 13 17 ATOM 17 C LIG 1 5.976 -0.220 0.366 0.00 0.00 +0.137 C ATOM 18 C LIG 1 6.135 1.271 0.659 0.00 0.00 +0.034 C BRANCH 17 20 ATOM 19 C LIG 1 8.204 -1.201 0.287 0.00 0.00 +0.101 C ATOM 20 N LIG 1 7.103 -0.654 -0.492 0.00 0.00 -0.309 NA ATOM 21 H LIG 1 6.744 -1.378 -1.127 0.00 0.00 +0.122 HD ENDBRANCH 17 20 ENDBRANCH 13 17 ENDBRANCH 1 14 BRANCH 4 22 ATOM 22 C LIG 1 -0.821 2.199 0.111 0.00 0.00 +0.149 C BRANCH 22 23 ATOM 23 C LIG 1 -1.667 1.725 1.290 0.00 0.00 -0.022 A ATOM 24 C LIG 1 -2.937 1.092 1.142 0.00 0.00 -0.013 A ATOM 25 C LIG 1 -3.613 0.640 2.304 0.00 0.00 -0.017 A ATOM 26 C LIG 1 -4.859 -0.002 2.197 0.00 0.00 +0.017 A ATOM 27 C LIG 1 -5.475 -0.216 0.956 0.00 0.00 -0.017 A ATOM 28 C LIG 1 -4.829 0.233 -0.210 0.00 0.00 -0.017 A ATOM 29 C LIG 1 -5.440 0.023 -1.458 0.00 0.00 +0.008 A ATOM 30 C LIG 1 -6.674 -0.621 -1.551 0.00 0.00 +0.001 A ATOM 31 C LIG 1 -7.313 -1.064 -0.397 0.00 0.00 +0.001 A ATOM 32 C LIG 1 -6.718 -0.862 0.849 0.00 0.00 +0.008 A ATOM 33 C LIG 1 -3.043 0.833 3.570 0.00 0.00 +0.008 A ATOM 34 C LIG 1 -1.814 1.465 3.711 0.00 0.00 +0.001 A ATOM 35 C LIG 1 -3.585 0.880 -0.098 0.00 0.00 +0.017 A ATOM 36 C LIG 1 -1.134 1.905 2.582 0.00 0.00 +0.006 A ENDBRANCH 22 23 ENDBRANCH 4 22 TORSDOF 5