REMARK Name = BDB010269 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.720 -1.885 -0.175 0.00 0.00 +0.052 A ATOM 2 C LIG 1 0.484 -0.732 -0.822 0.00 0.00 +0.043 A ATOM 3 C LIG 1 1.483 0.363 -0.640 0.00 0.00 +0.265 A ATOM 4 O LIG 1 1.228 1.448 -1.167 0.00 0.00 -0.267 OA ATOM 5 N LIG 1 2.584 0.083 0.159 0.00 0.00 -0.232 N ATOM 6 C LIG 1 2.689 -1.145 0.779 0.00 0.00 +0.122 A ATOM 7 N LIG 1 1.793 -2.075 0.646 0.00 0.00 -0.237 NA ENDROOT BRANCH 5 8 ATOM 8 C LIG 1 3.538 1.128 0.322 0.00 0.00 +0.239 A ATOM 9 N LIG 1 4.184 1.264 1.492 0.00 0.00 -0.216 NA ATOM 10 C LIG 1 5.065 2.284 1.615 0.00 0.00 +0.161 A ATOM 11 C LIG 1 5.352 3.192 0.624 0.00 0.00 +0.157 A ATOM 12 C LIG 1 4.662 2.968 -0.540 0.00 0.00 +0.161 A ATOM 13 N LIG 1 3.775 1.961 -0.710 0.00 0.00 -0.216 NA BRANCH 11 14 ATOM 14 O LIG 1 6.261 4.158 0.903 0.00 0.00 -0.489 OA BRANCH 14 15 ATOM 15 C LIG 1 6.494 5.173 -0.074 0.00 0.00 +0.226 C ATOM 16 C LIG 1 7.588 4.751 -1.039 0.00 0.00 +0.048 C ENDBRANCH 14 15 ENDBRANCH 11 14 ENDBRANCH 5 8 BRANCH 6 17 ATOM 17 C LIG 1 3.888 -1.524 1.672 0.00 0.00 +0.050 C ATOM 18 C LIG 1 3.539 -1.264 3.138 0.00 0.00 +0.015 C ATOM 19 C LIG 1 4.281 -2.996 1.491 0.00 0.00 +0.015 C ENDBRANCH 6 17 BRANCH 1 20 ATOM 20 C LIG 1 -0.175 -3.106 -0.267 0.00 0.00 +0.056 C BRANCH 20 21 ATOM 21 C LIG 1 0.397 -4.154 -1.227 0.00 0.00 +0.006 C BRANCH 21 23 ATOM 22 C LIG 1 0.046 -6.421 -2.269 0.00 0.00 +0.004 C ATOM 23 C LIG 1 -0.515 -5.377 -1.318 0.00 0.00 -0.003 C ENDBRANCH 21 23 ENDBRANCH 20 21 ENDBRANCH 1 20 BRANCH 2 24 ATOM 24 C LIG 1 -0.657 -0.460 -1.774 0.00 0.00 +0.079 C BRANCH 24 25 ATOM 25 C LIG 1 -1.903 0.086 -1.114 0.00 0.00 -0.025 A ATOM 26 C LIG 1 -3.055 -0.683 -1.000 0.00 0.00 +0.115 A ATOM 27 N LIG 1 -4.213 -0.259 -0.431 0.00 0.00 -0.255 NA ATOM 28 C LIG 1 -4.231 1.000 0.078 0.00 0.00 +0.072 A ATOM 29 C LIG 1 -3.130 1.847 -0.002 0.00 0.00 +0.028 A ATOM 30 C LIG 1 -1.963 1.387 -0.609 0.00 0.00 +0.007 A BRANCH 28 31 ATOM 31 C LIG 1 -5.476 1.411 0.741 0.00 0.00 +0.011 A ATOM 32 C LIG 1 -6.695 1.642 0.066 0.00 0.00 +0.030 A ATOM 33 C LIG 1 -7.815 2.113 0.776 0.00 0.00 +0.012 A ATOM 34 C LIG 1 -7.750 2.330 2.152 0.00 0.00 +0.001 A ATOM 35 C LIG 1 -6.565 2.085 2.833 0.00 0.00 +0.001 A ATOM 36 C LIG 1 -5.442 1.635 2.135 0.00 0.00 +0.011 A BRANCH 32 37 ATOM 37 C LIG 1 -6.895 1.442 -1.383 0.00 0.00 +0.183 A ATOM 38 N LIG 1 -6.254 0.479 -2.051 0.00 0.00 -0.271 N ATOM 39 H LIG 1 -5.570 -0.171 -1.688 0.00 0.00 +0.174 HD ATOM 40 C LIG 1 -6.650 0.551 -3.328 0.00 0.00 +0.440 A ATOM 41 O LIG 1 -6.262 -0.155 -4.245 0.00 0.00 -0.221 OA ATOM 42 O LIG 1 -7.572 1.563 -3.435 0.00 0.00 -0.295 OA ATOM 43 N LIG 1 -7.708 2.122 -2.123 0.00 0.00 -0.054 NA ENDBRANCH 32 37 ENDBRANCH 28 31 ENDBRANCH 24 25 ENDBRANCH 2 24 TORSDOF 11