REMARK Name = BDB021395 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.414 -2.243 -1.226 0.00 0.00 +0.037 C ATOM 2 C LIG 1 1.241 -0.974 -1.396 0.00 0.00 -0.030 A ATOM 3 C LIG 1 0.600 0.214 -1.804 0.00 0.00 +0.040 A ATOM 4 C LIG 1 1.336 1.389 -2.025 0.00 0.00 +0.014 A ATOM 5 C LIG 1 2.717 1.401 -1.838 0.00 0.00 +0.014 A ATOM 6 C LIG 1 3.363 0.237 -1.425 0.00 0.00 +0.037 A ATOM 7 C LIG 1 -0.872 0.254 -2.037 0.00 0.00 +0.247 C ATOM 8 O LIG 1 -1.383 1.236 -2.568 0.00 0.00 -0.270 OA ATOM 9 N LIG 1 -1.611 -0.847 -1.619 0.00 0.00 -0.294 N ATOM 10 C LIG 1 2.638 -0.949 -1.233 0.00 0.00 +0.017 A ATOM 11 C LIG 1 -1.001 -1.855 -0.761 0.00 0.00 +0.116 C ENDROOT BRANCH 6 12 ATOM 12 C LIG 1 4.834 0.259 -1.256 0.00 0.00 +0.247 C ATOM 13 N LIG 1 5.368 -0.308 -0.111 0.00 0.00 -0.287 N ATOM 14 C LIG 1 6.798 -0.215 0.156 0.00 0.00 +0.102 C ATOM 15 C LIG 1 7.088 1.198 0.721 0.00 0.00 +0.182 C ATOM 16 O LIG 1 6.364 1.432 1.951 0.00 0.00 -0.376 OA ATOM 17 C LIG 1 4.962 1.116 1.820 0.00 0.00 +0.182 C ATOM 18 C LIG 1 6.974 -1.279 1.247 0.00 0.00 +0.027 C ATOM 19 C LIG 1 5.606 -1.332 1.956 0.00 0.00 +0.027 C ATOM 20 C LIG 1 4.751 -0.296 1.215 0.00 0.00 +0.102 C ATOM 21 O LIG 1 5.522 0.769 -2.135 0.00 0.00 -0.270 OA ENDBRANCH 6 12 BRANCH 1 23 ATOM 22 C LIG 1 0.203 -4.546 -0.084 0.00 0.00 +0.004 C ATOM 23 C LIG 1 1.043 -3.289 -0.278 0.00 0.00 +0.006 C ENDBRANCH 1 23 BRANCH 9 24 ATOM 24 C LIG 1 -3.075 -0.791 -1.701 0.00 0.00 +0.141 C BRANCH 24 25 ATOM 25 C LIG 1 -3.806 -0.397 -0.397 0.00 0.00 +0.149 C BRANCH 25 26 ATOM 26 C LIG 1 -3.337 0.939 0.258 0.00 0.00 +0.088 C ATOM 27 N LIG 1 -3.335 2.132 -0.606 0.00 0.00 -0.307 NA ATOM 28 H LIG 1 -2.704 1.992 -1.405 0.00 0.00 +0.123 HD ATOM 29 C LIG 1 -4.668 2.479 -1.097 0.00 0.00 +0.117 C ATOM 30 C LIG 1 -5.742 2.456 -0.034 0.00 0.00 -0.030 A ATOM 31 C LIG 1 -5.519 1.838 1.210 0.00 0.00 -0.041 A ATOM 32 C LIG 1 -6.540 1.812 2.169 0.00 0.00 +0.004 A ATOM 33 C LIG 1 -7.786 2.371 1.886 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -8.017 2.967 0.648 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -7.002 3.009 -0.307 0.00 0.00 +0.005 A ATOM 36 C LIG 1 -4.159 1.265 1.529 0.00 0.00 +0.056 C ENDBRANCH 25 26 BRANCH 25 37 ATOM 37 O LIG 1 -3.669 -1.470 0.556 0.00 0.00 -0.389 OA ATOM 38 H LIG 1 -4.230 -2.200 0.243 0.00 0.00 +0.210 HD ENDBRANCH 25 37 ENDBRANCH 24 25 ENDBRANCH 9 24 TORSDOF 6