REMARK Name = BDB008374 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.176 1.546 -0.174 0.00 0.00 +0.077 A ATOM 2 C LIG 1 0.123 1.202 0.243 0.00 0.00 +0.144 A ATOM 3 C LIG 1 1.005 2.202 0.665 0.00 0.00 +0.075 A ATOM 4 C LIG 1 0.646 3.542 0.655 0.00 0.00 +0.075 A ATOM 5 C LIG 1 -0.648 3.887 0.217 0.00 0.00 +0.002 A ATOM 6 C LIG 1 -0.998 5.244 0.211 0.00 0.00 +0.011 A ATOM 7 C LIG 1 -0.080 6.198 0.629 0.00 0.00 +0.020 A ATOM 8 C LIG 1 1.164 5.761 1.042 0.00 0.00 +0.111 A ATOM 9 N LIG 1 1.538 4.462 1.062 0.00 0.00 -0.255 NA ATOM 10 C LIG 1 -1.550 2.889 -0.191 0.00 0.00 +0.037 A ENDROOT BRANCH 1 13 ATOM 11 O LIG 1 -3.946 1.591 -1.249 0.00 0.00 -0.270 OA ATOM 12 C LIG 1 -3.324 0.555 -1.032 0.00 0.00 +0.251 C ATOM 13 N LIG 1 -2.035 0.489 -0.550 0.00 0.00 -0.278 N ATOM 14 H LIG 1 -1.628 -0.442 -0.438 0.00 0.00 +0.155 HD BRANCH 12 15 ATOM 15 C LIG 1 -3.948 -0.748 -1.295 0.00 0.00 +0.070 A ATOM 16 C LIG 1 -3.407 -2.058 -1.048 0.00 0.00 +0.093 A ATOM 17 C LIG 1 -4.284 -3.075 -1.415 0.00 0.00 +0.056 A ATOM 18 C LIG 1 -3.899 -4.394 -1.229 0.00 0.00 +0.129 A ATOM 19 N LIG 1 -2.692 -4.662 -0.695 0.00 0.00 -0.243 NA ATOM 20 C LIG 1 -1.910 -3.623 -0.368 0.00 0.00 +0.221 A ATOM 21 S LIG 1 -5.742 -2.451 -2.057 0.00 0.00 -0.093 S ATOM 22 N LIG 1 -2.182 -2.320 -0.514 0.00 0.00 -0.234 NA ATOM 23 C LIG 1 -5.218 -0.843 -1.841 0.00 0.00 +0.061 A ENDBRANCH 12 15 ENDBRANCH 1 13 BRANCH 2 24 ATOM 24 O LIG 1 0.416 -0.141 0.223 0.00 0.00 -0.487 OA BRANCH 24 25 ATOM 25 C LIG 1 1.789 -0.547 0.243 0.00 0.00 +0.174 C ATOM 26 C LIG 1 1.915 -1.779 -0.669 0.00 0.00 +0.047 C ATOM 27 C LIG 1 3.096 -2.685 -0.322 0.00 0.00 +0.035 C ATOM 28 C LIG 1 4.192 -1.943 0.434 0.00 0.00 +0.115 C ATOM 29 C LIG 1 3.668 -1.350 1.745 0.00 0.00 +0.035 C ATOM 30 C LIG 1 2.209 -0.902 1.669 0.00 0.00 +0.047 C BRANCH 28 31 ATOM 31 O LIG 1 5.258 -2.844 0.707 0.00 0.00 -0.392 OA ATOM 32 H LIG 1 5.949 -2.349 1.180 0.00 0.00 +0.210 HD ENDBRANCH 28 31 ENDBRANCH 24 25 ENDBRANCH 2 24 TORSDOF 5