REMARK Name = BDB041982 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.128 1.812 -1.416 0.00 0.00 +0.247 C ATOM 2 N LIG 1 -1.017 1.040 -1.621 0.00 0.00 -0.295 N ATOM 3 C LIG 1 -1.135 -0.348 -1.138 0.00 0.00 +0.127 C ATOM 4 C LIG 1 -2.433 -1.056 -1.608 0.00 0.00 +0.075 C ATOM 5 N LIG 1 -3.668 -0.287 -1.339 0.00 0.00 -0.283 NA ATOM 6 C LIG 1 -3.472 0.896 -2.211 0.00 0.00 +0.075 C ATOM 7 C LIG 1 -3.175 0.195 -3.544 0.00 0.00 +0.022 C ATOM 8 C LIG 1 -2.482 -1.109 -3.142 0.00 0.00 +0.022 C ATOM 9 C LIG 1 -2.273 1.786 -1.794 0.00 0.00 +0.127 C ATOM 10 O LIG 1 0.122 3.040 -1.387 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 17 ATOM 11 N LIG 1 5.414 -0.033 0.815 0.00 0.00 -0.282 N ATOM 12 C LIG 1 5.179 -0.567 -0.443 0.00 0.00 +0.248 C ATOM 13 O LIG 1 5.893 -1.296 -1.103 0.00 0.00 -0.270 OA ATOM 14 C LIG 1 3.868 -0.072 -0.877 0.00 0.00 +0.042 A ATOM 15 C LIG 1 3.394 0.807 0.096 0.00 0.00 -0.017 A ATOM 16 C LIG 1 2.168 1.429 -0.063 0.00 0.00 +0.019 A ATOM 17 C LIG 1 1.426 1.130 -1.216 0.00 0.00 +0.037 A ATOM 18 C LIG 1 1.931 0.261 -2.208 0.00 0.00 +0.014 A ATOM 19 C LIG 1 3.169 -0.359 -2.036 0.00 0.00 +0.014 A ATOM 20 C LIG 1 4.399 0.944 1.189 0.00 0.00 +0.144 C BRANCH 11 27 ATOM 21 O LIG 1 10.781 -0.581 1.940 0.00 0.00 -0.275 OA ATOM 22 C LIG 1 9.570 -0.488 1.758 0.00 0.00 +0.219 C ATOM 23 N LIG 1 9.041 0.554 1.040 0.00 0.00 -0.255 N ATOM 24 H LIG 1 9.706 1.208 0.651 0.00 0.00 +0.158 HD ATOM 25 C LIG 1 7.713 0.875 0.868 0.00 0.00 +0.240 C ATOM 26 O LIG 1 7.396 1.933 0.327 0.00 0.00 -0.273 OA ATOM 27 C LIG 1 6.700 -0.089 1.503 0.00 0.00 +0.163 C ATOM 28 C LIG 1 7.286 -1.498 1.598 0.00 0.00 +0.041 C ATOM 29 C LIG 1 8.587 -1.450 2.384 0.00 0.00 +0.098 C ENDBRANCH 11 27 ENDBRANCH 1 17 BRANCH 5 30 ATOM 30 C LIG 1 -3.926 0.023 0.088 0.00 0.00 +0.118 C BRANCH 30 31 ATOM 31 C LIG 1 -5.175 0.890 0.286 0.00 0.00 -0.026 A ATOM 32 C LIG 1 -6.390 0.595 -0.355 0.00 0.00 +0.005 A ATOM 33 C LIG 1 -7.518 1.392 -0.154 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -7.450 2.495 0.694 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -6.255 2.800 1.343 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -5.126 2.003 1.143 0.00 0.00 +0.005 A ENDBRANCH 30 31 BRANCH 30 37 ATOM 37 C LIG 1 -4.014 -1.235 0.963 0.00 0.00 -0.026 A ATOM 38 C LIG 1 -4.745 -2.367 0.563 0.00 0.00 +0.005 A ATOM 39 C LIG 1 -4.819 -3.496 1.381 0.00 0.00 +0.000 A ATOM 40 C LIG 1 -4.172 -3.508 2.614 0.00 0.00 +0.000 A ATOM 41 C LIG 1 -3.451 -2.391 3.032 0.00 0.00 +0.000 A ATOM 42 C LIG 1 -3.375 -1.261 2.215 0.00 0.00 +0.005 A ENDBRANCH 30 37 ENDBRANCH 5 30 TORSDOF 5