REMARK Name = BDB034214 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.433 0.386 -0.754 0.00 0.00 +0.121 A ATOM 2 C LIG 1 -1.490 -0.531 -0.789 0.00 0.00 +0.051 A ATOM 3 C LIG 1 -2.677 -0.184 -0.168 0.00 0.00 -0.015 A ATOM 4 C LIG 1 -3.960 -0.937 -0.072 0.00 0.00 +0.145 C ATOM 5 N LIG 1 -4.779 -0.079 0.768 0.00 0.00 -0.279 N ATOM 6 C LIG 1 -4.149 1.131 1.037 0.00 0.00 +0.248 C ATOM 7 O LIG 1 -4.606 2.103 1.607 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 -2.794 1.040 0.485 0.00 0.00 +0.042 A ATOM 9 C LIG 1 -1.759 1.952 0.555 0.00 0.00 +0.017 A ATOM 10 C LIG 1 -0.556 1.608 -0.067 0.00 0.00 +0.046 A ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 -6.231 -0.276 0.916 0.00 0.00 +0.116 C ATOM 12 C LIG 1 -7.115 0.259 -0.323 0.00 0.00 +0.243 C ATOM 13 O LIG 1 -6.715 0.628 -1.426 0.00 0.00 -0.273 OA ATOM 14 N LIG 1 -8.472 0.179 -0.064 0.00 0.00 -0.254 N ATOM 15 H LIG 1 -9.107 0.426 -0.809 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 -8.980 -0.534 1.004 0.00 0.00 +0.223 C ATOM 17 O LIG 1 -10.178 -0.799 1.069 0.00 0.00 -0.275 OA ATOM 18 C LIG 1 -7.861 -0.973 2.030 0.00 0.00 +0.080 C ATOM 19 C LIG 1 -6.808 0.144 2.322 0.00 0.00 +0.048 C ATOM 20 C LIG 1 -6.656 -1.723 1.366 0.00 0.00 +0.048 C ENDBRANCH 5 11 BRANCH 1 21 ATOM 21 O LIG 1 0.732 -0.018 -1.349 0.00 0.00 -0.487 OA BRANCH 21 23 ATOM 22 C LIG 1 2.857 0.806 -2.223 0.00 0.00 +0.097 C ATOM 23 C LIG 1 1.307 0.928 -2.277 0.00 0.00 +0.190 C ATOM 24 C LIG 1 0.789 0.597 -3.692 0.00 0.00 +0.046 C ATOM 25 C LIG 1 1.662 -0.399 -4.462 0.00 0.00 +0.004 C ATOM 26 C LIG 1 2.391 -1.363 -3.540 0.00 0.00 +0.002 C ATOM 27 C LIG 1 3.317 -0.637 -2.557 0.00 0.00 +0.022 C BRANCH 22 30 ATOM 28 C LIG 1 4.638 1.179 0.663 0.00 0.00 +0.047 C ATOM 29 C LIG 1 3.212 0.716 0.248 0.00 0.00 +0.094 C ATOM 30 N LIG 1 3.402 1.460 -1.015 0.00 0.00 -0.295 NA ATOM 31 C LIG 1 4.867 1.332 -0.868 0.00 0.00 +0.094 C BRANCH 28 34 ATOM 32 C LIG 1 7.063 -0.211 3.414 0.00 0.00 +0.052 A ATOM 33 C LIG 1 6.235 0.635 2.661 0.00 0.00 +0.022 A ATOM 34 C LIG 1 5.570 0.197 1.496 0.00 0.00 -0.041 A ATOM 35 C LIG 1 5.785 -1.148 1.129 0.00 0.00 +0.004 A ATOM 36 C LIG 1 6.607 -2.002 1.870 0.00 0.00 +0.002 A ATOM 37 C LIG 1 7.247 -1.534 3.013 0.00 0.00 +0.019 A BRANCH 32 39 ATOM 38 N LIG 1 8.247 0.683 5.542 0.00 0.00 -0.191 NA ATOM 39 C LIG 1 7.716 0.283 4.590 0.00 0.00 +0.099 C ENDBRANCH 32 39 ENDBRANCH 28 34 ENDBRANCH 22 30 ENDBRANCH 21 23 ENDBRANCH 1 21 TORSDOF 6