REMARK Name = BDB034215 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.857 0.917 0.847 0.00 0.00 +0.121 A ATOM 2 C LIG 1 -1.845 -0.062 1.038 0.00 0.00 +0.051 A ATOM 3 C LIG 1 -3.034 0.040 0.336 0.00 0.00 -0.015 A ATOM 4 C LIG 1 -4.224 -0.856 0.335 0.00 0.00 +0.145 C ATOM 5 N LIG 1 -5.152 -0.163 -0.543 0.00 0.00 -0.279 N ATOM 6 C LIG 1 -4.563 0.946 -1.141 0.00 0.00 +0.248 C ATOM 7 O LIG 1 -5.025 1.665 -2.006 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 -3.236 1.101 -0.539 0.00 0.00 +0.042 A ATOM 9 C LIG 1 -2.288 2.082 -0.750 0.00 0.00 +0.017 A ATOM 10 C LIG 1 -1.085 1.985 -0.040 0.00 0.00 +0.046 A ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 -6.367 -0.807 -1.072 0.00 0.00 +0.116 C ATOM 12 C LIG 1 -6.113 -1.820 -2.301 0.00 0.00 +0.243 C ATOM 13 O LIG 1 -5.035 -2.247 -2.712 0.00 0.00 -0.273 OA ATOM 14 N LIG 1 -7.298 -2.280 -2.847 0.00 0.00 -0.254 N ATOM 15 H LIG 1 -7.241 -2.974 -3.578 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 -8.518 -2.105 -2.221 0.00 0.00 +0.223 C ATOM 17 O LIG 1 -9.508 -2.731 -2.590 0.00 0.00 -0.275 OA ATOM 18 C LIG 1 -8.440 -1.091 -1.011 0.00 0.00 +0.080 C ATOM 19 C LIG 1 -7.311 -1.428 0.022 0.00 0.00 +0.048 C ATOM 20 C LIG 1 -7.576 0.176 -1.312 0.00 0.00 +0.048 C ENDBRANCH 5 11 BRANCH 1 21 ATOM 21 O LIG 1 0.270 0.713 1.593 0.00 0.00 -0.487 OA BRANCH 21 23 ATOM 22 C LIG 1 2.680 0.705 1.751 0.00 0.00 +0.097 C ATOM 23 C LIG 1 1.417 1.566 1.408 0.00 0.00 +0.190 C ATOM 24 C LIG 1 1.259 2.811 2.303 0.00 0.00 +0.046 C ATOM 25 C LIG 1 2.588 3.350 2.809 0.00 0.00 +0.004 C ATOM 26 C LIG 1 3.337 2.309 3.641 0.00 0.00 +0.002 C ATOM 27 C LIG 1 3.002 0.867 3.251 0.00 0.00 +0.022 C BRANCH 22 30 ATOM 28 C LIG 1 5.194 0.254 -0.457 0.00 0.00 +0.047 C ATOM 29 C LIG 1 4.963 0.116 1.071 0.00 0.00 +0.094 C ATOM 30 N LIG 1 3.853 1.103 0.937 0.00 0.00 -0.295 NA ATOM 31 C LIG 1 3.698 0.663 -0.480 0.00 0.00 +0.094 C BRANCH 28 34 ATOM 32 C LIG 1 7.246 -2.040 -2.886 0.00 0.00 +0.052 A ATOM 33 C LIG 1 6.801 -0.940 -2.139 0.00 0.00 +0.022 A ATOM 34 C LIG 1 5.675 -1.011 -1.291 0.00 0.00 -0.041 A ATOM 35 C LIG 1 5.019 -2.258 -1.236 0.00 0.00 +0.004 A ATOM 36 C LIG 1 5.452 -3.363 -1.976 0.00 0.00 +0.002 A ATOM 37 C LIG 1 6.566 -3.254 -2.802 0.00 0.00 +0.019 A BRANCH 32 39 ATOM 38 N LIG 1 9.328 -1.815 -4.418 0.00 0.00 -0.191 NA ATOM 39 C LIG 1 8.396 -1.916 -3.733 0.00 0.00 +0.099 C ENDBRANCH 32 39 ENDBRANCH 28 34 ENDBRANCH 22 30 ENDBRANCH 21 23 ENDBRANCH 1 21 TORSDOF 6