REMARK Name = BDB007987 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.687 2.255 -2.663 0.00 0.00 -0.294 NA ATOM 2 C LIG 1 0.624 3.244 -2.551 0.00 0.00 +0.085 C ATOM 3 C LIG 1 -0.702 2.761 -3.152 0.00 0.00 +0.027 C ATOM 4 C LIG 1 -0.820 1.237 -3.158 0.00 0.00 +0.063 C ATOM 5 C LIG 1 0.378 0.606 -3.895 0.00 0.00 +0.027 C ATOM 6 C LIG 1 1.635 1.484 -3.893 0.00 0.00 +0.085 C ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -0.959 0.700 -1.725 0.00 0.00 +0.166 C ATOM 8 O LIG 1 0.016 0.332 -1.067 0.00 0.00 -0.292 OA BRANCH 7 9 ATOM 9 C LIG 1 -2.317 0.624 -1.092 0.00 0.00 +0.018 A ATOM 10 C LIG 1 -3.463 1.146 -1.696 0.00 0.00 +0.015 A ATOM 11 C LIG 1 -4.706 1.020 -1.072 0.00 0.00 +0.046 A ATOM 12 C LIG 1 -4.828 0.387 0.167 0.00 0.00 +0.121 A ATOM 13 C LIG 1 -3.690 -0.127 0.780 0.00 0.00 +0.046 A ATOM 14 C LIG 1 -2.442 -0.008 0.154 0.00 0.00 +0.015 A BRANCH 12 15 ATOM 15 O LIG 1 -6.105 0.321 0.639 0.00 0.00 -0.492 OA BRANCH 15 16 ATOM 16 C LIG 1 -6.320 -0.053 2.003 0.00 0.00 +0.232 C BRANCH 16 17 ATOM 17 C LIG 1 -6.540 -1.558 2.108 0.00 0.00 +0.027 C ATOM 18 C LIG 1 -7.090 -2.037 3.471 0.00 0.00 +0.007 C ATOM 19 C LIG 1 -8.500 -2.008 2.857 0.00 0.00 +0.001 C ATOM 20 C LIG 1 -7.837 -2.123 1.474 0.00 0.00 +0.007 C ENDBRANCH 16 17 ENDBRANCH 15 16 ENDBRANCH 12 15 ENDBRANCH 7 9 ENDBRANCH 4 7 BRANCH 1 21 ATOM 21 C LIG 1 3.013 2.794 -2.335 0.00 0.00 +0.180 C BRANCH 21 23 ATOM 22 O LIG 1 4.313 2.965 -0.292 0.00 0.00 -0.274 OA ATOM 23 C LIG 1 3.394 2.415 -0.897 0.00 0.00 +0.227 C ATOM 24 N LIG 1 2.691 1.350 -0.386 0.00 0.00 -0.307 N ATOM 25 H LIG 1 1.804 1.132 -0.857 0.00 0.00 +0.149 HD BRANCH 24 26 ATOM 26 C LIG 1 2.878 0.882 0.974 0.00 0.00 +0.178 C BRANCH 26 27 ATOM 27 C LIG 1 4.046 -0.096 1.070 0.00 0.00 +0.127 A ATOM 28 N LIG 1 4.412 -0.702 -0.103 0.00 0.00 -0.309 N ATOM 29 H LIG 1 3.957 -0.416 -0.960 0.00 0.00 +0.170 HD ATOM 30 C LIG 1 5.470 -1.550 -0.196 0.00 0.00 +0.257 A ATOM 31 O LIG 1 5.845 -2.028 -1.258 0.00 0.00 -0.267 OA ATOM 32 C LIG 1 6.128 -1.857 1.090 0.00 0.00 +0.064 A ATOM 33 C LIG 1 7.287 -2.795 1.081 0.00 0.00 +0.202 C ATOM 34 O LIG 1 7.997 -2.794 2.332 0.00 0.00 -0.375 OA ATOM 35 C LIG 1 7.111 -2.848 3.449 0.00 0.00 +0.166 C ATOM 36 C LIG 1 6.284 -1.571 3.528 0.00 0.00 +0.084 C ATOM 37 C LIG 1 5.646 -1.264 2.195 0.00 0.00 +0.056 A ATOM 38 N LIG 1 4.599 -0.372 2.210 0.00 0.00 -0.237 NA ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 21 23 ENDBRANCH 1 21 TORSDOF 9